Nanoscale-Ordered Materials Diffractometer
NOMAD | BL-1B | SNS
The following 608 publications were retrieved from PuSH (Publications of SNS and HFIR)
2024 19 Publications
Akamo D.O., Cladek B., Goswami M., Gluesenkamp K.R., Rios O., Keffer D.J., "Nanoscale Stabilization Mechanism of Sodium Sulfate Decahydrate at Polyelectrolyte Interfaces", ACS Omega, (2024).
Chen J., Li H., Gainza J., Munoz A., Alonso J.A., Liu J., Chen Y.S., Belik A.A., Yamaura K., He J.M., Li X.Y., Goodenough J.B., Zhou J.S., "Exotic Magnetism in Perovskite KOsO3", Physical Review Letters, 132, 15, 156701 (2024).
Chen Y., Lun Z., Zhao X., Koirala K.P., Li L., Sun Y., O’Keefe C.A., Yang X., Cai Z., Wang C., Ji H., Grey C.P., Ouyang B., Ceder G., "Unlocking Li superionic conductivity in face-centred cubic oxides via face-sharing configurations", Nature Materials, (2024).
Dong J., Hu L., Liu J., Liu Y., Jiang Y., Yu Z., Tan X.Y., Suwardi A., Zheng Q., Li Q., Li J.F., Dravid V.P., Yan Q., Kanatzidis M.G., "Off-Centering of Ge Atoms in GeBi2Te4 and Impact on Thermoelectric Performance", Advanced Functional Materials, 2314499 (2024).
Fayfar S., Chahal R., Williams H., Gardner D.R., Zheng G., Sprouster D.J., Neuefeind J., Olds D., Hwang A., McFarlane J., Gallagher R.C., Asta M.D., Lam S., Scarlat R.O., Khaykovich B., "Complex Structure of Molten FLiBe (2LiF – BeF2) Examined by Experimental Neutron Scattering, X-Ray Scattering, and Deep-Neural-Network Based Molecular Dynamics", PRX Energy, 3, 1, 013001 (2024).
Hou D., Liu J., Xu Z., Yang Z., Xiao X., Lin F., "Cross-length-scale investigation reveals the spatial thermo-chemical dynamics hidden in Ni-rich layered Li-ion cathodes", Matter, 7, 2, 640-654 (2024).
Jones B., Suggs C.Z., Krivyakina E., Phelan D., Garlea V.O., Chmaissem O., Frandsen B.A., "Local atomic and magnetic structure of multiferroic (Sr, Ba) (Mn, Ti) O3", Physical Review B, 109, 2, 024423 (2024).
Juelsholt M., Chen J., Perez-Osorio M.A., Rees G.J., De Sousa Coutinho S., Maynard-Casely H.E., Liu J., Everett M., Agrestini S., Garcia-Fernandez M., Zhou K., House R.A., Bruce P.G., "Does trapped O2 form in the bulk of LiNiO2 during charging?", Energy & Environmental Science, 17, 7, 2530-2540 (2024).
Liu H., Sun Z., Zhang J., Luo H., Zhang Y., Sanson A., Hinterstein M., Liu L., Neuefeind J., Chen J., "Chemical Framework to Design Linear-like Relaxors toward Capacitive Energy Storage", Journal of the American Chemical Society, (2024).
Paladugu S., Abdullahi I.M., Jothi P., Jiang B., Nath M., Page K., "Tailored (La0.2Pr0.2Nd0.2Tb0.2Dy0.2)2Ce2O7 as a Highly Active and Stable Nanocatalyst for the Oxygen Evolution Reaction", Small, 2305789 (2024).
Shuseki Y., Kohara S., Kaneko T., Sodeyama K., Onodera Y., Koyama C., Masuno A., Sasaki S., Hatano S., Shiga M., Obayashi I., Hiraoka Y., Okada J.T., Mizuno A., Watanabe Y., Nakata Y., Ohara K., Murakami M., Tucker M.G., McDonnell M.T., Oda H., Ishikawa , "Atomic and Electronic Structure in MgO–SiO2", Journal of Physical Chemistry A, 128, 4, 716-726 (2024).
Sorensen S.S., Ge X., Micoulaut M., Shi Y., Juelsholt M., Jensen K.M., Neuefeind J., Jensen L.R., Bockowski M., Smedskjaer M.M., "Explaining an anomalous pressure dependence of shear modulus in germanate glasses based on Reverse Monte Carlo modelling", Journal of Materials Science & Technology, (2024).
Tang Y., Zuo W., Zhou S., Zeng G., Zhang B., Zhang H., Huang Z., Zheng L., Xu J., Yin W., Qiu Y., Xiao Y., Zhang Q., Zhang Q., Zhao T., Liao H., Hwang I., Sun C.J., Amine K., Wang Q., Sun Y., Xu G.L., Gu L., Qiao Y., Sun S., "Sustainable layered cathode with suppressed phase transition for long-life sodium-ion batteries", Nature Sustainability, (2024).
Wang N., Wang N.N., Yao Y., Liu H., Chen J., "Role of Na in structural and polarization characteristics of prototype lead-free K0.5Na0.5NbO3 piezoelectrics", Scripta Materialia, 244, 116032 (2024).
Wang X., Zhang Q., Zhao C., Li H., Zhang B., Zeng G., Tang Y., Huang Z., Hwang I., Zhang H., Zhou S., Qiu Y., Xiao Y., Cabana J., Sun C.J., Amine K., Sun Y., Wang Q., Xu G.L., Gu L., Qiao Y., Sun S., "Achieving a high-performance sodium-ion pouch cell by regulating intergrowth structures in a layered oxide cathode with anionic redox", Nature Energy, (2024).
Wilke S.K., Al-Rubkhi A., Koyama C., Ishikawa T., Oda H., Topper B., Tsekrekas E.M., Moncke D., Alderman O.L., Menon V., Rafferty J., Clark E., Kastengren A., Benmore C.J., Ilavsky J., Neuefeind J., Kohara S., SanSoucie M., Phillips B., Weber R.J., "Microgravity effects on nonequilibrium melt processing of neodymium titanate: thermophysical properties, atomic structure, glass formation and crystallization", npj Microgravity, 10, 26, (2024).
Yahne D.R., Placke B.A., Schafer R., Benton O., Moessner R., Powell M., Kolis J.W., Pasco C., May A.F., Frontzek M., Smith E.M., Gaulin B.D., Calder S., Ross K.A., "Dipolar Spin Ice Regime Proximate to an All-In-All-Out Néel Ground State in the Dipolar-Octupolar Pyrochlore Ce2 Sn2 O7", Physical Review X, 14, 1, 011005 (2024).
Yuan C., Sorensen S.S., Du T., Zhang Z., Song Y., Shi Y., Neuefeind J., Smedskjaer M.M., "Lattice dynamics and heat transport in zeolitic imidazolate framework glasses", Journal of Chemical Physics, 160, 12, 124502 (2024).
Zhang S., Zhao F., Su H., Zhong Y., Liang J., Chen J., Zheng M.L., Liu J., Chang L., Fu J., Hu Y., Liu Y., Huang Y., Tu J., Sham T., Sun X., "Cubic Iodide LixYI3+x Superionic Conductors through Defect Manipulation for All-Solid-State Li Batteries", Angewandte Chemie, e202316360 (2024).
2023 57 Publications
Bozin E.S., Xie H., Abeykoon A.M., Everett S.M., Tucker M.G., Kanatzidis M.G., Billinge S.J., "Local Sn Dipolar-Character Displacements behind the Low Thermal Conductivity in SnSe Thermoelectric", Physical Review Letters, 131, 3, 036101 (2023).
Cai H., Chen R., Bahri M., Hawkins C., Sonni M., Daniels L., Lim J.A., Evans J., Zanella M., Jones L., Manning T., Veal T., Hardwick L., Dyer M., Browning N., Claridge J.B., Rosseinsky M.J., "Fluorine-Rich Oxyfluoride Spinel-like Li1.25Ni0.625Mn1.125O3F Utilizing Redox-Active Ni and Mn for High Capacity and Improved Cyclability", ACS Materials Letters, 5, 527-535 (2023).
Chien P.H., Ouyang B., Feng X., Dong L., Mitlin D., Nanda J., Liu J., "Promoting Fast Ion Conduction in Li-Argyrodite through Lithium Sublattice Engineering", Chemistry of Materials, 36, 1, 382–393 (2023).
Dong J., Jiang Y., Sun Y., Liu J., Pei J., Li W., Tan X.Y., Hu L., Jia N., Xu B., Li Q., Li J.F., Yan Q., Kanatzidis M.G., "Discordant Distortion in Cubic GeMnTe2 and High Thermoelectric Properties of GeMnTe2-x%SbTe", Journal of the American Chemical Society, 145, 1988-1996 (2023).
Emery R., Rios O., Lass E.A., Jorgensen C.S., Gilbert D., Meier W.R., Koehler M.R., Rack P.D., "Identification of low coefficient of thermal expansion in Al23Ce4Ni6 via combinatorial sputtering of Al-Ce-Ni-Mn thin films and upscaling to bulk materials", Journal of Alloys and Compounds, 968, 172220 (2023).
Feygenson M., Huang Z., Xiao Y., Teng X., Lohstroh W., Nandakumaran N., Neuefeind J., Everett M., Podlesnyak A., Salazar-Alvarez G., Ulusoy S., Valvo M., Su Y., Ehlert S., Qdemat A., Ganeva M., Zhang L., Aronsonl M.C., "Probing spin waves in Co3O4 nanoparticles for magnonics applications", Nanoscale, 16, 3, 1291-1303 (2023).
Gebretsadik A.S., Wang R., Alyami A.S., Adawi H., Lussier J.G., Page K., Schroeder A., "Atomic disorder in Ni-V alloys studied using neutron scattering", Physical Review B, 108, 18, 184106 (2023).
Gussev I., "Characterizing the Structure and Radiation Resistance of Weberite-Type Complex Oxides ", Ph.D. Dissertation, University of Tennessee (2023).
Gussev I., O'Quinn E.C., Tucker M.G., Ewing R.C., Overstreet C., Neuefeind J., Everett S.M., Zhang Q., Sprouster D.J., Olds D., Baldinozzi G., Lang M., "Systematic study of short- and long-range correlations in RE3TaO7 weberite-type compounds by neutron total scattering and X-ray diffraction", Journal of Materials Chemistry A, 11, 8886-8903 (2023).
Halstenberg P., "Synthesizing, Purifying, and Characterizing Molten Chloride Salts", Ph.D. Dissertation, The University of Tennessee (2023).
Hamilton P.K., "Enhanced Capabilities for Investigating Local Structure and Magnetism: Three Dimensional Magnetic Pair Distribution Function and Symmetry Mode Analysis", Ph.D. Dissertation, Brigham Young University (2023).
Huang J., Ouyang B., Zhang Y., Yin L., Kwon D.H., Cai Z., Lun Z., Zeng G., Balasubramanian M., Ceder G., "Inhibiting collective cation migration in Li-rich cathode materials as a strategy to mitigate voltage hysteresis", Nature Materials, 22, 353-361 (2023).
Imer M.R., Suescun L., Rabuffetti F.A., "A small-box approach to the local crystal structure of Y3NbO7", Journal of Solid State Chemistry, (2023).
Jiang B., Neu J., Olds D., Kimber S.A., Page K., Siegrist T., "The curious case of the structural phase transition in SnSe insights from neutron total scattering", Nature Communications, 14, 3211 (2023).
Jiang B., Pitike K.C., Lin D., Purdy S., Wang X., Zhao Y., Zhang Y., Metz P., Macias A., Meyer III H.M., Borisevich A.Y., Yan J.Q., Cooper V.R., Bridges C.A., Page K., "Local cation ordering in compositionally complex Ruddlesden–Popper n = 1 oxides", APL Materials, 11, 051104 (2023).
Jiao S., Sun Y., Wang J., Shi D., Li Y., Jiang X., Wang F., Zhang Y., Liu J., Wang X., Yu X., Li H., Chen L., Huang X., "The Mechanism of Fluorine Doping for the Enhanced Lithium Storage Behavior in Cation-Disordered Cathode Oxide", Advanced Energy Materials, 13, 47, 2301636 (2023).
Kirsch A., Bojesen E.D., Lefeld N., Larsen R., Mathiesen J.K., Skjaervo S.H., Pittkowski R.K., Sheptyakov D., Jensen K.M., "High-Entropy Oxides in the Mullite-Type Structure", Chemistry of Materials, 35, 20, 8664–8674 (2023).
Kong J., Manjon-Sanz A., Liu J., Marlton F., Lo T.W., Lei D., Joergensen M.R., Pramanick A., "Scaling behavior of order parameters for the hybrid improper ferroelectric ( Ca , Sr ) 3 Ti 2 O 7", Physical Review B, 107, 224103 (2023).
Lawrence E.A., Davenport M., Devi R., Cai Z., Avdeev M.V., Belnap J.R., Liu J., Alnaser H., Ho A., Sparks T.D., Sai Gautam G., Allred J.M., Ji H., "Reversible Electrochemical Lithium Cycling in a Vanadium(IV)- and Niobium(V)-Based Wadsley–Roth Phase", Chemistry of Materials, 35, 3470-3483 (2023).
Li W., Li W., Li M., Chien P.H., Wang S., Yu C., King G., Hu Y., Xiao Q., Shakouri M., Feng R., Fu B., Abdolvand H., Fraser A., Li R., Huang Y., Liu J., Sham T.K., Sun X., "Lithium-compatible and air-stable vacancy-rich Li9N2Cl3 for high–areal capacity, long-cycling all–solid-state lithium metal batteries", Science Advances, 9, 42, (2023).
Liang S., Hu H., Shen H., Li Q., Qiu N., Guo H., Guo X., Du S., Zhu Y., Liu J., Attfield J.P., Yang M., "Nickel-nitride composite: An eco-friendly and efficient alternative to platinum for electrocatalytic hydrogen production", Applied Catalysis B: Environmental, 337, 123008 (2023).
Lin K., Zhang W., Yu C., Sun Q., Cao Y., Li W., Jiang S.H., Li Q., Zhang Q., An K., Chen Y., Yu D., Liu J., Kato K., Gu L., Zhang Q., Kuang X., Tang Y., Miao J., Xing X., "Chemical heterogeneity modulated zero thermal expansion alloy over super-wide temperature range", Cell Reports Physical Science, 4, 101254 (2023).
Liu C., Liu C., Zhang D., Trindell J.A., King K.A., Bishop S.R., Sugar J.D., McDaniel A.H., Smith A.I., Salinas P.A., Coker E.N., Velayutham M., Neuefeind J., Yang J., De Santiago H.A., Ma L., Wang Y., Li W., Li W., Wang Q., Wang Q., Li Q., Tian H., Tran, "Manganese-based A-site high-entropy perovskite oxide for solar thermochemical hydrogen production", Journal of Materials Chemistry A, 12, 7, 3910-3922 (2023).
Liu H., Shi X., Yao Y., Luo H., Li Q., Huang H., Qi H., Zhang Y., Ren Y., Kelly S.D., Roleder K., Neuefeind J., Chen L.Q., Xing X., Chen J., "Emergence of high piezoelectricity from competing local polar order-disorder in relaxor ferroelectrics", Nature Communications, 14, 1007 (2023).
Liu H., Sun Z., Zhang J., Luo H., Yao Y., Wang X., Qi H., Deng S., Liu J., Gallington L.C., Zhang Y., Neuefeind J., Chen J., "Local Chemical Clustering Enabled Ultrahigh Capacitive Energy Storage in Pb-Free Relaxors", Journal of the American Chemical Society, 145, 35, 19396–19404 (2023).
Liu H., Sun Z., Zhang J., Luo H., Zhang Q., Yao Y., Deng S., Qi H., Liu J., Gallington L.C., Neuefeind J., Chen J., "Chemical Design of Pb-Free Relaxors for Giant Capacitive Energy Storage", Journal of the American Chemical Society, 145, 11764-11772 (2023).
Liu S., Dong W., Ren Z., Ge J., Fu S., Wu Z., Wu J., Lou Y., Zhang W., Chen H., Yin W., Ren Y., Neuefeind J., You Z., Liu Y., Wang X.L., Lan S., "Medium-range order endows a bulk metallic glass with enhanced tensile ductility", Journal of Materials Science & Technology, 159, 10-20 (2023).
Liu S., Qi W., Liu J., Meng X., Adimi S., Attfield J.P., Yang M., "Modulating Electronic Structure to Improve the Solar to Hydrogen Efficiency of Cobalt Nitride with Lattice Doping", ACS Catalysis, 13, 2214–2222 (2023).
Luo H., Liu H., Huang H., Song Y., Tucker M.G., Sun Z., Yao Y., Gao B., Ren Y., Tang M., Qi H., Deng S., Zhang S., Chen J., "Achieving giant electrostrain of above 1% in (Bi,Na)TiO3-based lead-free piezoelectrics via introducing oxygen-defect composition", Science Advances, 9, eade7078 (2023).
Luo H., Sun Z., Zhang J., Xie H., Yao Y., Li T., Lou C., Zheng H., Wang N., Deng S., Zhu L., Liu J., Neuefeind J., Tucker M.G., Tang M., Liu H., Chen J., "Outstanding Energy-Storage Density Together with Efficiency of above 90% via Local Structure Design", Journal of the American Chemical Society, 146, 1, 460–467 (2023).
Nandwana P., Fancher C.M., Kannan R., Babsuska T.F., Krick B., Kustas A., "Disorder-Order Transformation in Fe-50%Co Fabricated via Laser Powder Bed Fusion", Additive Manufacturing, 7, 100174 (2023).
Newnham J.A., Gibson Q.D., Surta T.W., Morscher A., Manning T., Daniels L., Claridge J.B., Rosseinsky M.J., "Low thermal conductivity in Bi8CsO8SeX7 (X = Cl, Br) by combining different structural motifs", Journal of Materials Chemistry A, 11, 29, 15739-15748 (2023).
Paladugu S., Metz P., Luo S., Li M., Liu J., Meyer III H.M., Wu Y., Wu Z., Page K., "In Situ Neutron Scattering Studies on the Oxidation and Reduction of CeO2 and Pt–CeO2 Nanorods", Journal of Physical Chemistry C, 127, 3689-3697 (2023).
Philip S.S., Louca D.A., Stone M.B., Kolesnikov A.I., "Suppression of Stacking Order with Doping in 1T-TaS2−xSex", Condensed Matter, 8, 4, 89 (2023).
Philip S.S., Neuefeind J., Stone M.B., Louca D.A., "Local structure anomaly with the charge ordering transition of 1 T − TaS 2", Physical Review B, 107, 184109 (2023).
Pouvreau M., Guo Q., Wang H.W., Schenter G.K., Pearce C.I., Clark A., Rosso K.M., "An Efficient Reactive Force Field without Explicit Coordination Dependence for Studying Caustic Aluminum Chemistry", Journal of Physical Chemistry Letters, 14, 6743-6748 (2023).
Shao B., Das R., Huang Y., Deng R., Seelman S., Han F., "Structural Evolution During Solution-Based Synthesis of Li7P3S11 Solid Electrolyte by Synchrotron X-ray Total Scattering", Journal of Materials Chemistry A, 11, 32, 17035-17044 (2023).
Shi Y., Deng B., Gulbiten O., Bauchy M., Zhou Q., Neuefeind J., Elliott S.R., Smith N.J., Allan D.C., "Revealing the relationship between liquid fragility and medium-range order in silicate glasses", Nature Communications, 14, 13 (2023).
Shi Y., Deng B., Neuefeind J., Zhou Q., Smedskjaer M.M., Elliott S.R., Bauchy M., "Revealing the effect of medium-range structure on silicate glass hardness", Physical Review Materials , 7, 013602 (2023).
Sun Y., Jiao S., Wang J., Zhang Y., Liu J., Wang X., Kang L., Yu X., Li H., Chen L., Huang X., "Expandable Li Percolation Network: The Effects of Site Distortion in Cation-Disordered Rock-Salt Cathode Material", Journal of the American Chemical Society, 145, 11717-11726 (2023).
Sun Z., Zhang J., Luo H., Yao Y., Wang N., Chen L., Li T., Hu C., Qi H., Deng S., Gallington L.C., Zhang Y., Neuefeind J., Liu H., Chen J., "Superior Capacitive Energy-Storage Performance in Pb-Free Relaxors with a Simple Chemical Composition", Journal of the American Chemical Society, 145, 6194-6202 (2023).
Szymanski N.J., Lun Z., Liu J., Self E.C., Bartel C.J., Nanda J., Ouyang B., Ceder G., "Modeling Short-Range Order in Disordered Rocksalt Cathodes by Pair Distribution Function Analysis", Chemistry of Materials, 35, 4922-4934 (2023).
Tao Y., Daemen L.L., Cheng Y.Q., Neuefeind J., Louca D.A., "Investigating the magnetoelastic properties in FeSn and Fe3Sn2 flat band metals", Physical Review B, 107, 174407 (2023).
Umemoto K., "Multiscale structural analysis of ferromanganese-based invar/elinvar alloy", Ph.D. Dissertation, Tohoku University (2023).
Vrublevskiy D., "Order-disorder competition in the Sc2VO5+δ system. Review and experimental pursuit of A3+2VO5 and Sc2VO5+δ-inspired solid phases", Ph.D. Dissertation, University of Manitoba (2023).
Wang B., Li H., Li H.F., Liu S., Zhao S., Zhang X., Liu J., Xiao D., Yang W., Yu H., "Stacking Faults Inducing Oxygen Anion Activities in Li2MnO3", Advanced Materials, 35, 2207904 (2023).
Wang P., Patel S., Liu H., Chien P.H., Feng X., Gao L., Chen B., Liu J., Hu Y., "Configurational and Dynamical Heterogeneity in Superionic Li5.3PS4.3Cl1.7−xBrx", Advanced Functional Materials, 33, 51, 2307954 (2023).
Wang X., Yin L., Ronne A., Zhang Y., Hu Z., Tan S., Wang Q., Song B., Li M., Rong X., Lapidus S., Yang S., Hu E., Liu J., "Stabilizing lattice oxygen redox in layered sodium transition metal oxide through spin singlet state", Nature Communications, 14, 7665 (2023).
Westover A.S., Kornbluth M., Egami T., Liu J., Kalnaus S., Ma D., Kercher A.K., Neuefeind J., Everett S.M., Torres V., Martin S.W., Kozinsky B., Dudney N.J., "Medium-Range Ordering in the Ionic Glass Electrolytes LiPON and LiSiPON", Chemistry of Materials, 35, 2730-2739 (2023).
Wyckoff K., Kautzsch L., Kaufman J., Ortiz B.R., Kallistova A., Pokharel G., Liu J., Taddei K.M., Wiaderek K.M., Lapidus S., Wilson S.D., Van der Ven A., Seshadri R., "Electrochemical Control of Magnetism on the Breathing Kagome Network of LixScMo3O8", Chemistry of Materials, 35, 4945–4954 (2023).
Yao Y., Wang L., Zhang Y., Liu J., Huo C., Liu H., Chen J., "Local structure heterogeneity in unique tetragonal BaTiO3-based relaxor featuring ultrahigh electrostrictive effect", Journal of Materials Chemistry A, 11, 42, 22797-22802 (2023).
Yoon Y., O’Nolan D., Beauvais M.L., Chapman K.W., Lively R.P., "Direct evidence of the ultramicroporous structure of carbon molecular sieves", Carbon, 210, 118002 (2023).
Yu X., Moon J., Cheng Y.Q., Daemen L.L., Liu J., Kim S., Kumar A., Chi M., Fung V., Ramirez-Cuesta A.J., Wu Z., "In Situ Neutron Scattering Study of the Structure Dynamics of the Ru/Ca2N:e– Catalyst in Ammonia Synthesis", Chemistry of Materials, 35, 2456-2462 (2023).
Zhang D., Chen Y., Vega H., Feng T., Yu D., Everett S.M., Neuefeind J., An K., Chen R., Luo J., "Long- and short-range orders in 10-component compositionally complex ceramics", Advanced Powder Materials, 2, 100098 (2023).
Zhang Y., Liu J., Tucker M.G., "Lorentz factor for time-of-flight neutron Bragg and total scattering", Acta Crystallographica Section A, A79, 20-24 (2023).
Zhou D., Ning D., Wang J., Liu J., Zhang G., Xiao Y., Zheng J., Li Y., Li J., Liu X., "Clarification of underneath capacity loss for O3–type Ni, Co free layered cathodes at high voltage for sodium ion batteries", Journal of Energy Chemistry, 77, 479-486 (2023).
Zhou Q., "Decoding the Genome of Disordered Materials", Ph.D. Dissertation, University of California Los Angeles (2023).
2022 78 Publications
Adawi H., "Study of Atomic and Magnetic Correlations in Ferromagnetic NI-Alloys", Ph.D. Dissertation, Kent State University (2022).
Ahn J., Ha Y., Satish R., Giovine R., Li L., Liu J., Wang C., Clement R.J., Kostecki R., Yang W., Chen G., "Exceptional Cycling Performance Enabled by Local Structural Rearrangements in Disordered Rocksalt Cathodes", Advanced Energy Materials, 12, 2200426 (2022).
Bailey O., Husremovic S., Murphy M., Ross J., Gong J., Olds D., Laurita G., "Compositional influence of local and long-range polarity in the frustrated pyrochlore system Bi2−xRExTi2O7 (RE = Y3+,Ho3+)", Journal of Materials Chemistry C, 10, 13886-13895 (2022).
Balderas R.I., Settle A.E., York A., Conklin D.R., Pham H., Metz P., Page K., Datye A., Trewyn B.G., Vardon D., Richards R.M., "MgO(111) Nanocatalyst for Biomass Conversion: A Study of Carbon Coating Effects on Catalyst Faceting and Performance", Catalysis Letters, 152, 3354–3364 (2022).
Baral R., "Short-Range Magnetic Correlations, Spontaneous Magnetovolume E olume Effect, and Local Dist ect, and Local Distortion in Magnetic tion in Magnetic Semiconductor MnTe ", Ph.D. Dissertation, Brigham Young University (2022).
Baral R., Christensen J.A., Hamilton P.K., Ye F., Chesnel K., Sparks T.D., Ward R., Yan J.Q., McGuire M.A., Manley M.E., Staunton J.B., Hermann R.P., Frandsen B.A., "Real-space visualization of short-range antiferromagnetic correlations in a magnetically enhanced thermoelectric", Matter, 5, 1853-1864 (2022).
Biriukov D., Wang H.W., Rampal N., Tempra C., Kula P., Neuefeind J., Stack A.G., Predota M., "The “good,” the “bad,” and the “hidden” in neutron scattering and molecular dynamics of ionic aqueous solutions", Journal of Chemical Physics, 156, 19, 194505 (2022).
Butts D., "Next-Generation Electrode Materials for Na- and Li-Ion Batteries", Ph.D. Dissertation, University of California Los Angeles (2022).
Chen X., Wang Y., Wang Y., Dally R., Wiaderek K.M., Qiao T., Liu J., Hu E., Burch K.S., Lynn J.W., Li X., "Dynamically preferred state with strong electronic fluctuations from electrochemical synthesis of sodium manganate", Matter, 5, 2, 735-750 (2022).
Chen Y., An K., "Unraveling transition-metal-mediated stability of spinel oxide via in situ neutron scattering", Journal of Energy Chemistry, 68, 60-70 (2022).
Chen Y., Bartel C.J., Avdeev M.V., Zhang Y.Q., Liu J., Zhong P., Zeng G., Cai Z., Kim H., Ji H., Ceder G., "Solid-State Calcium-Ion Diffusion in Ca1.5Ba0.5Si5O3N6", Chemistry of Materials, 34, 1, 128–139 (2022).
Clark S.M., Colas B., Jacob D.E., Neuefeind J., Wang H.W., Page K., Soper A.K., Schodder P.I., Duchstein P., Zubiri B.A., Yokosawa T., Pipich V., Zahn D., Spiecker E., Wolf S.E., "The nano- and meso-scale structure of amorphous calcium carbonate", Scientific Reports, 12, 6870 (2022).
Clark S.M., Grigorova V., Colas B., Darwish T.A., Wood K., Neuefeind J., Jacob D.E., "The Kinetics of Aragonite Formation from Solution via Amorphous Calcium Carbonate", Nanomaterials, 12, 4151 (2022).
Cosby M.R., "Quantitative Analysis of Chemical and Electrochemical Processes Relevant to Energy Storage Using Rapid and Sensitive Synchrotron Diffraction Methods", Ph.D. Dissertation, State University of New York at Stony Brook (2022).
Cui Y., Zhang Y., Sun L., Feygenson M., Fan M., Wang X.L., Liaw P.K., Baker I., Zhang Z.W., "Phase transformation via atomic-scale periodic interfacial energy", Materials Today Physics, 24, 100668 (2022).
Dang U., O’Hara J., Evans H.A., Olds D., Chamorro J.R., Hickox-Young D., Laurita G., Macaluso R.T., "Vacancy-Driven Disorder and Elevated Dielectric Response in the Pyrochlore Pb1.5Nb2O6.5", Inorganic Chemistry, 61, 46, 18601–18610 (2022).
Deng B., Shi Y., Zhou Q., Bauchy M., "Revealing the structural role of MgO in aluminosilicate glasses", Acta Materialia, 222, 117417 (2022).
Dissanayake S., Shi Z., Rau J.G., Bag R., Steinhardt W., Butch N.P., Frontzek M., Podlesnyak A., Graf D., Marjerrison C.A., Liu J., Gingras M., Haravifard S., "Towards understanding the magnetic properties of the breathing pyrochlore compound Ba3Yb2Zn5O11through single-crystal studies", npj Quantum Materials, 7, 77 (2022).
Drey D., O'Quinn E.C., Finkeldei S., Neuefeind J., Lang M., "Local ordering in disordered NdxZr1-xO2-0.5x pyrochlore as observed using neutron total scattering", Acta Materialia, 225, 117590 (2022).
Essehli R., Parejiya A., Muralidharan N., Jafta C.J., Amin R., Dixit M.B., Bai Y., Liu J., Belharouak I., "Hydrothermal synthesis of Co-free NMA cathodes for high performance Li-ion batteries", Journal of Power Sources, 545, 231938 (2022).
Fan Y., Olsson E., Liang G., Wang Z., D'Angelo A.M., Johannessen B., Thomsen L., Cowie B., Li J., Zhang F., Zhao Y., Pang W.K., Cai Q., Guo Z., "Stabilizing Cobalt-free Li-rich Layered Oxide Cathodes through Oxygen Lattice Regulation by Two-phase Ru Doping", Angewandte Chemie International Edition, 62, e2022130806 (2022).
Frandsen B.A., Hamilton P.K., Christensen J.A., Stubben E., Billinge S.J., "diffpy.mpdf: open-source software for magnetic pair distribution function analysis", Journal of Applied Crystallography, 55, 5, (2022).
Gao J., Li W., Liu J., Li Q., Li J.F., "Local Atomic Configuration in Pristine and A-Site Doped Silver Niobate Perovskite Antiferroelectrics", Research, 2022, 9782343 (2022).
Hillis B., "Investigating Chemical Bonding Control of the Rate of Crystal Growth and the Development of a Transition Zone Theory for Nucleation", Ph.D. Dissertation, North Carolina State University (2022).
Hirtz J., O'Quinn E.C., Gussev I., Neuefeind J., Lang M., "Cation Short-Range Ordering of MgAl2O4 and NiAl2O4 Spinel Oxides at High Temperatures via In Situ Neutron Total Scattering", Inorganic Chemistry, (2022).
Hou D., Xu Z., Yang Z., Kuai C., Du Z., Sun C.J., Ren Y., Liu J., Xiao X., Lin F., "Effect of the grain arrangements on the thermal stability of polycrystalline nickel-rich lithium-based battery cathodes", Nature Communications, 13, 3437 (2022).
Htet C.S., Manjon-Sanz A., Liu J., Kong J., Marlton F., Nayak S., Jorgensen M., Pramanick A., "Effect of Local Structural Distortions on Antiferroelectric–Ferroelectric Phase Transition in Dilute Solid Solutions of KxNa1–xNbO3", Inorganic Chemistry, 50, 20277-20287 (2022).
Htet C.S., Nayak S., Manjon-Sanz A., Liu J., Kong J., Soerensen D.R., Marlton F., Joergensen M.R., Pramanick A., "Atomic structural mechanism for ferroelectric-antiferroelectric transformation in perovskite NaNbO 3", Physical Review B, 105, 174113 (2022).
Hu Y., "Manipulating the Magnetic and Electrical Properties of Strongly Correlated Molecular Crystals", Ph.D. Dissertation, University at Buffalo (2022).
Jiang B., Lin D., Wang X., Selbach S.M., Page K., "Special quasirandom structures description of the local structure of disordered Bi0.5K0.5TiO3", Journal of Applied Physics, 132, 224101 (2022).
Jiang M., Gao Y., Wang Y., Li G., "Study on structure evolution of CoCrFeNi high entropy alloy in containerless processing using neutron diffraction", Nuclear Analysis, 1, 3, 100034 (2022).
Johnson I.D., Mistry A.N., Yin L., Murphy M., Wolfman M., Fister T.T., Lapidus S., Cabana J., Srinivasan V., Ingram B.J., "Unconventional Charge Transport in MgCr2O4 and Implications for Battery Intercalation Hosts", Journal of the American Chemical Society, 144, 31, 14121-14131 (2022).
Kong J., Li L., Liu J., Marlton F., Joergensen M.R., Pramanick A., "A Local Atomic Mechanism for Monoclinic-Tetragonal Phase Boundary Creation in Li-Doped Na0.5K0.5NbO3 Ferroelectric Solid Solution", Inorganic Chemistry, 61, 4335-4349 (2022).
Kong J., Nayak S.K., Liu J., Alpay S.P., Pramanick A., "Local atomic structure distortions in the Dion-Jacobson ferroelectric CsBiNb2O7", Physical Review B, 106, 024103 (2022).
Li M., Jafta C.J., Geng L., Liu J., Bai Y., Li J., Essehli R., Belharouak I., "Correlation of Oxygen Anion Redox Activity to In-Plane Honeycomb Cation Ordering in NaxNiyMn1−yO2 Cathodes", Advanced Energy and Sustainability Research, 3, 7, 2200027 (2022).
Li Q., Ren Y., Zhang Q., Gu L., Huang Q.Z., Wu H., Sun J., Cao Y., Lin K., Xing X., "Chemical order-disorder nanodomains in Fe3Pt bulk alloy", National Science Review, 9, nwac053 (2022).
Li T., Algrim L., McEntee M., Tsyshevsky R., Leonard M., Durke E.M., Karwacki C., Kuklja M.M., Zachariah M.R., Rodriguez E.E., "Aliovalent-Doping Effects on the Surface Activity of Mesoporous CeO2 toward Nerve Agent Simulant DMMP Decomposition", Journal of Physical Chemistry C, 126, 17923-17934 (2022).
Liu H., Sun Z., Sun S., Zhang Y., Luo H., Qi H., Liu L., Neuefeind J., Xing X., Chen J., "Evolving Differentiated Local Polar Displacement and Relaxor Behavior in Pb(Mg1/3Nb2/3)O3–PbTiO3 Perovskites", Chemistry of Materials, 34, 9, 3985–3992 (2022).
Liu S., Ge J., Ying H., Lu C., Ma D., Wang X.L., Zuo X., Ren Y., Feng T., Shen J., Hahn H., Lan S., "In Situ Scattering Studies of Crystallization Kinetics in a Phase-Separated Zr–Cu–Fe–Al Bulk Metallic Glass", Acta Materialia, 35, 103–114 (2022).
Minuddin M., "Connection between Structure and Physical Properties of Prussian Blue Analogues", Ph.D. Dissertation, New Mexico State University (2022).
Nagle-Cocco L.A., Bull C.L., Ridley C.J., Dutton S.E., "Pressure Tuning the Jahn–Teller Transition Temperature in NaNiO2", Inorganic Chemistry, 61, 4312-4321 (2022).
Nienhuis E., Pouvreau M., Graham T.R., Prange M.P., Page K., Loring J.S., Stack A.G., Clark A., Schenter G.K., Rosso K.M., Pearce C.I., Wang H.W., "Structure and reactivity of sodium aluminate complexes in alkaline solutions", Journal of Molecular Liquids, 367, Part A, 120379 (2022).
Niu M., Jayanthi K., Gao H., Solomon A.P., O'Quinn E.C., Su L., Qin Y., Toimil-Molares M.E., Wang H., Lang M., Navrotsky A., "Structural and thermodynamic evolution of an amorphous SiOC ceramic after swift heavy ion irradiation", Acta Materialia, 118475 (2022).
Novak E., Daemen L.L., Ramirez-Cuesta A.J., Cheng Y.Q., Smith R.W., Egami T., Jalarvo N., "Uncovering the hydride ion diffusion pathway in barium hydride via neutron spectroscopy", Scientific Reports, 12, 6794 (2022).
Patel S., "The Effect of Mixed Anion Sublattice on Lithium-Ion Transport Properties", Ph.D. Dissertation, Florida State University (2022).
Patil S., Darbar D., Self E.C., Malkowski T.F., Wu V.C., Giovine R., Szymanski N.J., McAuliffe R.D., Jiang B., Keum J.K., Koirala K.P., Ouyang B., Page K., Wang C., Ceder G., Clement R.J., Nanda J., "Alternate Synthesis Method for High-Performance Manganese Rich Cation Disordered Rocksalt Cathodes", Advanced Energy Materials, 2203207 (2022).
Peterson N., "Towards a Better Understanding of Phase Transformations in Uranium Alloys Through the Use of Scattering Techniques", Ph.D. Dissertation, University of Virginia (2022).
Pianassola M., Anderson K.L., Safin J., Agca C., McMurray J.W., Chakoumakos B.C., Neuefeind J., Melcher C.L., Zhuravleva M., "Tuning the melting point and phase stability of rare-earth oxides to facilitate their crystal growth from the melt", Journal of Advanced Ceramics, 11, 1479-1490 (2022).
Pillai S.B., Wilcox R.J., Hillis B., Losey B.P., Martin J.D., "Understanding the Water-in-Salt to Salt-in-Water Characteristics across the Zinc Chloride : Water Phase Diagram", Journal of Physical Chemistry B, 126, 2265-2278 (2022).
Pimentel B., Andrade V.M., de Paula V.G., Pirota K.R., Beron F., Cardoso M.A., Goncalves J.N., Amaral J.S., Dos Santos A.M., Reis M.S., "Cubic to hexagonal tuning in Fe2Mn(Si1−xGex) Heusler alloys", Journal of Alloys and Compounds, 893, 162236 (2022).
Prenger K., "MXenes and Their Heterostructures with Oxides as Electrodes for Supercapacitors", Ph.D. Dissertation, Tulane University (2022).
Ryan B.J., "Toward Direct Bandgap Silicon via Two-Dimensional Silicane: A Joint Experimental and Computational Study", Ph.D. Dissertation, Iowa State University (2022).
Saura-Muzquiz M., Marlton F., Mullens B.G., Liu J., Vogt T., Maynard-Casely H.E., Avdeev M.V., Blom D.A., Kennedy B.J., "Cation and Lone Pair Order–Disorder in the Polymorphic Mixed Metal Bismuth Scheelite Bi3FeMo2O12", Chemistry of Materials, 35, 123-135 (2022).
Saura-Muzquiz M., Marlton F., Mullens B.G., Manjon-Sanz A., Neuefeind J., Everett S.M., Brand H.E., Mondal S., Vaitheeswaran G., Kennedy B.J., "Understanding the Re-entrant Phase Transition in a Non-magnetic Scheelite", Journal of the American Chemical Society, 144, 34, 15612–15621 (2022).
Shiomi M., Kojima K., Katayama N., Maeda S., Schneeloch J.A., Yamamoto S., Sugimoto K., Ohta Y., Louca D.A., Okamoto Y., Sawa H., "Charge-ordered state satisfying the Anderson condition in LiRh 2 O 4 arising from local dimer order", Physical Review B, 105, L041103 (2022).
Shuseki Y., Kohara S., Ohara K., Ohkubo T., Takei K., Tucker M.G., Kolesnikov A.I., McDonnell M.T., Sacci R.L., Neuefeind J., Takeuchi K., "Structural analyses of amorphous calcium carbonate before and after removing strontium ions from an aqueous solution", Journal of the Ceramic Society of Japan, 130, 2, 225-231 (2022).
Siebert J.P., "Development of Wet Chemical Synthesis Strategies for the Class of MAX Phases", Ph.D. Dissertation, Arizona Board of Regents for and on behalf of Arizona State University (2022).
Siebert J.P., Juelsholt M., Gunzing D., Wende H., Ollefs K., Birkel C.S., "Towards a mechanistic understanding of the sol–gel syntheses of ternary carbides", Inorganic Chemistry Frontiers, 9, 1565-1574 (2022).
Spittle S., Poe D., Doherty B.W., Kolodziej C., Heroux L., Haque M.A., Squire H., Cosby T., Zhang Y., Fraenza C., Bhattacharyya S., Tyagi M., Peng J., Elgammal R.A., Zawodzinski T.A., Tuckerman M., Greenbaum S.G., Gurkan B., Burda C., Dadmun M., Maginn E, "Evolution of microscopic heterogeneity and dynamics in choline chloride-based deep eutectic solvents", Nature Communications, 13, 219 (2022).
Sprouster D.J., Zheng G., Lee S.C., Olds D., Agca C., McFarlane J., Z Y., Khaykovich B., "Molecular Structure and Phase Equilibria of Molten Fluoride Salt with and without Dissolved Cesium: FLiNaK–CsF (5 mol %)", ACS Applied Energy Materials, 5, 8067-8074 (2022).
Sun Y., Polo-Garzon F., Bao Z., Moon J., Huang Z., Chen H., Chen Z., Yang Z., Chi M., Wu Z., Liu J., Dai S., "Manipulating Copper Dispersion on Ceria for Enhanced Catalysis: A Nanocrystal-Based Atom-Trapping Strategy", Advanced Science, 9, 2104749 (2022).
Sun Y., Wu T., Bao Z., Moon J., Huang Z., Chen Z., Chen H., Li M., Yang Z., Chi M., Toops T.J., Wu Z., Jiang D., Liu J., Dai S., "Defect Engineering of Ceria Nanocrystals for Enhanced Catalysis via a High-Entropy Oxide Strategy", ACS Central Science, 8, 1081-1090 (2022).
Terban M.W., Billinge S.J., "Structural Analysis of Molecular Materials Using the Pair Distribution Function", Chemical Reviews, 122, 1, 1208–1272 (2022).
Tsai P.C., Mair S., Smith J., Halat D.M., Chien P.H., Kim K., Zhang D., Li Y., Yin L., Liu J., Lapidus S., Reimer J.A., Balsara N.P., Siegel D.J., Chiang Y.M., "Double Paddle-Wheel Enhanced Sodium Ion Conduction in an Antiperovskite Solid Electrolyte", Advanced Energy Materials, 13, 2203284 (2022).
Wang L., Qi H., Deng S., Cao L., Liu H., Hu S., Chen J., "Design of superior electrostriction in BaTiO3-based lead-free relaxors via the formation of polarization nanoclusters", InfoMat, 5, e12362 (2022).
Wang P., "Mixed-Anion Thiophosphate Fast Ion Conductors", Ph.D. Dissertation, Florida State University (2022).
Wang X., Mao Y., "Achieving Ultraviolet C and Ultraviolet B Dual-Band Persistent Luminescence by Manipulating the Garnet Structure", Advanced Optical Materials, 10, 2102157 (2022).
Wang X., Musico B.L., Kons C., Metz P., Keppens V., Gilbert D., Zhang Y., Page K., "Local cation order and ferrimagnetism in compositionally complex spinel ferrites", APL Materials, 10, 121102 (2022).
Wilke S.K., Alderman O.L., Benmore C.J., Neuefeind J., Weber R.J., "Octahedral oxide glass network in ambient pressure neodymium titanate", Scientific Reports, 12, 8258 (2022).
Wright A.J., Wang Q., Yeh Y.T., Zhang D., Everett S.M., Neuefeind J., Chen R., Luo J., "Short-range order and origin of the low thermal conductivity in compositionally complex rare-earth niobates and tantalates", Acta Materialia, 235, 118056 (2022).
Wu X., Ma L., Liu J., Zhao K., Wood D.L., Du Z., "Understanding the effect of salt concentrations on fast charging performance of Li-ion cells", Journal of Power Sources, 545, 231863 (2022).
Xu H., Lin K., Li W., Li Q., Neuefeind J., Liu J., Kato K., Miao J., Xing X., "Local Structure Manipulates Nonlinear Optical Properties in Non-stoichiometric Lithium Niobate", Journal of Physical Chemistry C, 126, 14735-14741 (2022).
Yang T.H., Kawamoto S., Higo T., Wang S.G., Stone M.B., Neuefeind J., Ruff J.P., Abeykoon A.M., Chen Y.S., Nakatsuji S., Plumb K.W., "Bond ordering and molecular spin-orbital fluctuations in the cluster Mott insulator GaTa4Se8", Physical Review Research, 4, 033123 (2022).
Yang Y., Zhang Z., Liu S., Wang B., Liu J., Ren Y., Zhang X., Zhao S., Liu D., Yu H., "Cation configuration in transition-metal layered oxides", Matter, 5, 3869-3882 (2022).
Zeng Y., Ouyang B., Liu J., Byeon Y.W., Cai Z., Miara L.J., Wang Y., Ceder G., "Share on High-entropy mechanism to boost ionic conductivity", Science, 378, 1320-1324 (2022).
Zhang F.X., Song H.Q., "Effect of atomic size mismatch and chemical complexity on the local lattice distortion of BCC solid solution alloys", Materials Today Communications, 33, 104367 (2022).
Zhang Y., Hu A., Liu J., Xu Z., Mu L., Sainio S., Nordlund D., Li L., Sun C.J., Xiao X., Liu Y., Lin F., "Investigating Particle Size-Dependent Redox Kinetics and Charge Distribution in Disordered Rocksalt Cathodes", Advanced Functional Materials, 32, 2110502 (2022).
Zhao K., Zhu C., Qiu W., Yang S., Su H., Qiu P., He Y., Guan M., Wei T.R., Ma J., Liu J., Zheng G., Xu F., Shi X., He J., Chen L., "Novel meta-phase arising from large atomic size mismatch", Matter, 5, 2, 605-615 (2022).
2021 76 Publications
Alexander F.J., Ang J., Bilbrey J.A., Balewski J., Casey T., Chard R., Choi J., Choudhury S., Debusschere B., DeGennaro A.M., Dryden N., Ellis J.A., Foster I., Cardona C.G., Ghosh S., Harrington P., Huang Y., Jha S., Johnston T., Kagawa A., Kannan R., Pr, "Co-design Center for Exascale Machine Learning Technologies (ExaLearn)", International Journal of High Performance Computing Applications, 35, 503-507 (2021).
Andersen H.L., Frandsen B.A., Gunnlaugsson H.P., Joergensen M.R., Billinge S.J., Jenseng K.M., Christensen M., "Local and long-range atomic/magnetic structure of non-stoichiometric spinel iron oxide nanocrystallites", IUCrJ, 8, 33-45 (2021).
Bag R., Ennis M., Liu C., Dissanayake S., Shi Z., Liu J., Balents L., Haravifard S., "Realization of quantum dipoles in triangular lattice crystal Ba3Yb(BO3)3", Physical Review B, 104, L220403 (2021).
Beal J., Berry K.D., Riedel R.A., Funk L.L., Reynolds W.B., Diawara Y., "The NOMAD instrument neutron detector array at the SNS", Nuclear Instruments and Methods in Physics Research Section A, 1018, 165851 (2021).
Brady A., Liang K., Vuong V.Q., Sacci R.L., Prenger K., Thompson M.W., Matsumoto R.A., Cummings P.T., Irle S., Wang H.W., Naguib M., "Pre-Sodiated Ti3C2Tx MXene Structure and Behavior as Electrode for Sodium-Ion Capacitors", ACS Nano, 15, 2, 2994–3003 (2021).
Cai Z., Ji H., Ha Y., Liu J., Kwon D.H., Zhang Y., Urban A., Foley E., Giovine R., Kim H., Lun Z., Huang T., Zeng G., Chen Y., Wang J., McCloskey B., Balasubramanian M., Clement R.J., Yang W., Ceder G., "Realizing continuous cation order-to-disorder tuning in a class of high-energy spinel-type Li-ion cathodes", Matter, 4, 3897-3916 (2021).
Ceder G., Ji H., "Lithium-Excess Transition-Metal-Deficient Spinels for Fast Charging/Discharging Lithium-Ion Battery Materials", (2021).
Chien P.H., Wu X., Song B., Yang Z., Waters C.K., Everett S.M., Lin F., Du Z., Liu J., "New Insights into Structural Evolution of LiNiO2 Revealed by Operando Neutron Diffraction", Chemistry of Materials, 4, 1701-1707 (2021).
Cladek B., Everett S.M., McDonnell M.T., Kizzire D., Tucker M.G., Keffer D.J., Rawn C.J., "Local structure analysis of low-temperature neutron pair distribution function coupled with molecular dynamics simulations of CH4 and CO2 hydrates from 2 to 210 K", Fuel, 299, 120908 (2021).
Cladek B., Everett S.M., McDonnell M.T., Tucker M.G., Keffer D.J., Rawn C.J., "Local structure and distortions of mixed methane-carbon dioxide hydrates", Communications Chemistry, 4, 6 (2021).
Culbertson C.M., Manjon-Sanz A., Lucero M., Feng Z., Dolgos M., "The Local Structure of 0.5Ba(Zr0.2Ti0.8)O3-0.5(Ba0.7Ca0.3)TiO3 from Neutron Total Scattering Measurements and Multi-Edge X-ray Absorption Analysis", Materials Research Bulletin, 135, 111124 (2021).
Cureton W.F., Tracy C.L., Lang M., "Review of Swift Heavy Ion Irradiation Effects in CeO2", Quantum Beam Science, 5, 2, 19 (2021).
Dai P., Zhang G., Xie Y., Duan C., Gao Y., Zhu Z., Feng E., Tao Z., Huang C., Cao H.B., Podlesnyak A., Granroth G.E., Everett S.M., Neuefeind J., et al. ., "Spinon Fermi Surface Spin Liquid in a Triangular Lattice Antiferromagnet NaYbSe2", Physical Review X, 11, 2, 021044 (2021).
Day G.S., Drake H., Contreras-Ramirez A., Ryder M.R., Page K., Zhou H., "Controlled Metal Oxide and Porous Carbon Templation Using MetalOrganic Frameworks", Crystal Growth and Design, 21, 4249-4258 (2021).
Dong W., Wu Z., Ge J., Liu S., Lan S., Gilbert E., Ren Y., Ma D., Wang X.L., "In situ neutron scattering studies of a liquid–liquid phase transition in the supercooled liquid of a Zr–Cu–Al–Ag glass-forming alloy", Applied Physics Letters, 118, 191901 (2021).
Feng R., Feng B., Gao M.C., Zhang C., Neuefeind J., Poplawsky J., Ren Y., An K., Widom M., Liaw P.K., "Superior High-Temperature Strength in a Supersaturated Refractory High-Entropy Alloy", Advanced Materials, 33, 2102401 (2021).
Fletcher E.R., Higashi K., Kalcheim Y., Kageyama H., Frandsen B.A., "Uniform structural phase transition in V 2 O 3 without short-range distortions of the local structure", Physical Review B, 104, 184115 (2021).
Freelon B., Sarkar R., Kamusella S., Bruckner F., Grinenko V., Acharya S., Laad M., Craco L., Yamani Z., Flacau R., Swainson I., Frandsen B.A., Birgeneau R.J., Liu Y., Karki B., Alfailakawi A., Neuefeind J., Everett S.M., Wang H.D., Xu B., Fang M.H., Kla, "Nematic fluctuations in iron-oxychalcogenide Mott insulators", npj Quantum Materials, 6, 4 (2021).
Harmer C.P., "Solvothermal Synthesis and Characterization of Intercalated Iron-Sulfides", Ph.D. Dissertation, Iowa State University (2021).
Hu E., Li Q., Wang X., Meng F., Liu J., Zhang J.N., Page K., Xu W., Gu L., Xiao R., Li H., Huang X., Chen L., Yang W., Yu X., Yang X.Q., "Oxygen-redox reactions in LiCoO2 cathode without O–O bonding during charge-discharge", Joule, 5, 3, 720-736 (2021).
Hu Y., Broderick S., Guo Z., N'Diaye A.T., Bola J.S., Malissa H., Li C., Zhang Q., Huang Y., Jia Q.X., Boehme C., Vardeny Z.V., Zhou C., Ren S., "Proton switching molecular magnetoelectricity", Nature Communications, 12, 4602 (2021).
Huo X., Conklin D.R., Zhou M., Vorotnikov V., Assary R.S., Purdy S., Page K., Li Z., Unocic K.A., Balderas R.I., Richards R.M., Vardon D., "Catalytic Activity and Water Stability of the MgO(111) Surface for 2-Pentanone Condensation", Applied Catalysis B: Environmental, 294, 120234 (2021).
Huston P.C., Drey D., Cureton W.F., Kurley J.M., McMurray J.W., Everett S.M., Park C., Lang M., "Characterization of zirconium carbide microspheres synthesized via internal gelation", Journal of Nuclear Materials, 557, 153218 (2021).
Jiang B., Bridges C.A., Unocic R.R., Pitike K.C., Cooper V.R., Zhang Y., Lin D., Page K., "Probing the Local Site Disorder and Distortion in Pyrochlore High-Entropy Oxides", Journal of the American Chemical Society, 143, 11, 4193–4204 (2021).
Karki B., Alfailakawi A., Frandsen B.A., Everett S.M., Neuefeind J., Xu B., Wang H.D., Fang M.H., Freelon B., "Local structure of Mott insulating iron oxychalcogenides La2 O2 Fe2 OM2 (M = S ,Se)", Physical Review B, 104, 064101 (2021).
Kaup K., Assoud A., Liu J., Nazar L.F., "Fast Li‐Ion Conductivity in Superadamantanoid Lithium Thioborate Halides", Angewandte Chemie International Edition, 60, 13, 6975-6980 (2021).
Kizzire D., "Next Generation Energy Storage: An Examination of Lignin-based Carbon Composite Anodes for Sodium Ion Batteries through Modeling and Simulation", Ph.D. Dissertation, University of Tennessee, Knoxville (2021).
Kizzire D., Richter A.G., Harper D., Keffer D.J., "Lithium and Sodium Ion Binding Mechanisms and Diffusion Rates in Lignin-Based Hard Carbon Models", ACS Omega, 6, 19883-19892 (2021).
Koch R.J., Sinclair R., McDonnell M.T., Yu R., Abeykoon A.M., Tucker M.G., Tsvelik A.M., Billinge S.J., Zhou H.D., Yin W., Bozin E.S., "Dual Orbital Degeneracy Lifting in a Strongly Correlated Electron System", Physical Review Letters, 126, 186402 (2021).
Kong J., Liu J., Marlton F., Joergensen M.R., Pramanick A., "A Structural Study of 0.06LiNbO3-0.94K0.5Na0.5NbO3 from Neutron Total Scattering Analysis", Crystals, 11, 395 (2021).
Kong J., Liu J., Marlton F., Joergensen M.R., Pramanick A., "Local structural mechanism for phase transition and ferroelectric polarization in the mixed oxide K0.5Na0.5NbO3", Physical Review B, 103, 184104 (2021).
Lee S., Xu H., Xu H., Neuefeind J., "Crystal Structure of Moganite and Its Anisotropic Atomic Displacement Parameters Determined by Synchrotron X-ray Diffraction and X-ray/Neutron Pair Distribution Function Analyses", Minerals, 11, 272 (2021).
Li Q., Sprouster D.J., Zheng G., Neuefeind J., Braatz A.D., McFarlane J., Olds D., Lam S., Li J., Khaykovich B., "Complex Structure of Molten NaCl–CrCl3 Salt: Cr–Cl Octahedral Network and Intermediate-Range Order", ACS Applied Energy Materials, 4, 4, 3044–3056 (2021).
Liang G., Peterson V.K., Wu Z., Zhang S., Hao J., Lu C.Z., Hao C.H., Lee J., Liu J., Leniec G., Kaczmarek S.M., D'Angelo A.M., Johannessen B., Thomsen L., Pang W.K., Guo Z., "Crystallographic-Site-Specific Structural Engineering Enables Extraordinary Electrochemical Performance of High-Voltage LiNi0.5Mn1.5O4 Spinel Cathodes for Lithium-Ion Batteries", Advanced Materials, 33, 2101413 (2021).
Liu J., Liu J., Du Z., Wang X., Tan S., Wu X., Geng L., Song B., Chien P.H., Everett S.M., Hu E., "Anionic redox induced anomalous structural transition in Ni-rich cathodes", Energy & Environmental Science, 14, 6441-6454 (2021).
Long J.M., Snow R.A., Pracheil B.M., Chakoumakos B.C., "Morphology and composition of Goldeye (Hiodontidae; Hiodon alosoides) otoliths", Journal of Morphology, 282, 4, 511-519 (2021).
Lu X., Reiser J.T., Parruzot B., Deng L., Gussev I., Neuefeind J., Graham T.R., Liu H., Ryan J.V., Kim S.H., Washton N.M., Lang M., Du J., Vienna J.D., "Effects of Al:Si and (Al+Na):Si Ratios on the Properties of the International Simple Glass, Part II: Structure", Journal of the American Ceramic Society, 104, 1, 183-207 (2021).
Luo S., Li M., Fung V., Sumpter B.G., Liu J., Wu Z., Page K., "New Insights into the Bulk and Surface Defect Structures of Ceria Nanocrystals from Neutron Scattering Study", Chemistry of Materials, 33, 11, 3959–3970 (2021).
Marcial J., Zhang Y., Zhao X., Xu H., Mesbah A., Nienhuis E., Szenknect S., Neuefeind J., Lin J., Qi L., Migdisov A.A., Ewing R.C., Dacheux N., McCloy J.S., Guo X., "Thermodynamic non-ideality and disorder heterogeneity in actinide silicate solid solutions", npj Materials Degradation, 5, 34 (2021).
Marlton F., Nayak S., Venkateshwarlu S., Chan N.H., Kong J., Zhang Y., Tucker M.G., Joergensen M.R., Pramanick A., "Broad Distribution of Local Polar States Generates Large Electrothermal Properties in Pb-Free Relaxor Ferroelectrics", Chemistry of Materials, 33, 8844-8853 (2021).
Mauws C., Hiebert N., Rutherford M., Zhou H.D., Huang Q., Stone M.B., Butch N.P., Su Y., Choi E.S., Yamani Z., Wiebe C.R., "Magnetic Ordering in the Ising Antiferromagnetic Pyrochlore Nd2ScNbO7", Journal of Physics: Condensed Matter, 33, 24, 245802 (2021).
Morales D., "Magnetic Resonance Characterization Studies of Sodium and Lithium-based Energy Storage Materials", Ph.D. Dissertation, City University of New York (2021).
Niedziela J., Sanjeewa L.D., Podlesnyak A., Debeer-Schmitt L.M., Kuhn S.J., dela Cruz C., Parker D.S., Page K., Sefat A.S., "Magnetoelastic coupling, negative thermal expansion, and two-dimensional magnetic excitations in FeAs", Physical Review B, 103, 094431 (2021).
Novak E., Daemen L.L., Page K., Neuefeind J., Everett S.M., Egami T., Jalarvo N., "Temperature Dependent Local Atomic Structure and Vibrational Dynamics of Barium Hydride and Calcium Hydride", Journal of Physical Chemistry C, 125, 24328-24339 (2021).
O'Quinn E.C., Tracy C.L., Cureton W.F., Sachan R., Neuefeind J., Trautmann C., Lang M., "Multi-scale investigation of heterogeneous swift heavy ion tracks in stannate pyrochlore", Journal of Materials Chemistry A, 9, 16982-16997 (2021).
Patel S., Banerjee S., Liu H., Wang P., Chien P.H., Feng X., Liu J., Ong S.P., Hu Y.Y., "Tunable Lithium-Ion Transport in Mixed-Halide Argyrodites Li6–xPS5–xClBrx: An Unusual Compositional Space", Chemistry of Materials, 33, 4, 1435–1443 (2021).
Peterson N., Einhorn J.R., Fancher C.M., Bunn J.R., Payzant E.A., Agnew S.R., "Quantitative texture analysis using the NOMAD time-of-flight neutron diffractometer", Journal of Applied Crystallography, 54, 867-877 (2021).
Philip S.S., Yang J., Louca D.A., Rosa P.F., Thompson J.D., Page K., "Bismuth kagome sublattice distortions by quenching and flux pinning in superconducting RbBi 2", Physical Review B, 104, 104503 (2021).
Pogue E.A., Bond J., Imperato C., Abraham J.B., Drichko N., McQueen T.M., "A Gold(I) Oxide Double Perovskite: Ba2AuIO6", Journal of the American Chemical Society, 143, 19033-19042 (2021).
Prange M.P., Mergelsberg S.T., Kerisit S., "Ab Initio Molecular Dynamics Simulations of Amorphous Calcium Carbonate: Interpretation of Pair Distribution Function and X‑ray Absorption Spectroscopy Data", Crystal Growth and Design, 21, 2212-2221 (2021).
Rahman M.M., McGuigan S., Li S., Gao L., Hou D., Yang Z., Xu Z., Lee S.J., Sun C.J., Liu J., Huang X., Xiao X., Chu Y., Sainio S., Nordlund D., Kong X., Liu Y., Lin F., "Chemical modulation of local transition metal environment enables reversible oxygen redox in Mn-based layered cathodes", ACS Energy Letters, 6, 8, 2882–2890 (2021).
Rampal N., Wang H.W., Biriukov D., Brady A., Neuefeind J., Predota M., Stack A.G., "Local molecular environment drives speciation and reactivity of ion complexes in concentrated salt solution", Journal of Molecular Liquids, 340, 116898 (2021).
Self E.C., Chien P.H., O’Donnell L.F., Morales D., Liu J., Brahmbhatt T., Greenbaum S.G., Nanda J., "Investigation of Glass-Ceramic Lithium Thiophosphate Solid Electrolytes Using NMR and Neutron Scattering", Materials Today Physics, 21, 100478 (2021).
Shah A.R., Shutt R.R., Smith K., Hack J., Neville T.P., Headen T.F., Brett D., Howard C., Miller T., Cullen P.L., "Neutron studies of Na-ion battery materials", New Journal of Physics, 4, 042008 (2021).
Sherrod R., O'Quinn E.C., Gussev I., Overstreet C., Neuefeind J., Lang M., "Comparison of short-range order in irradiated dysprosium titanates", npj Materials Degradation, 5, 1, 19 (2021).
Siebert J.P., Mallett S., Juelsholt M., Pazniak H., Wiedwald U., Page K., Birkel C.S., "Structure determination and magnetic properties of the Mn-doped MAX phase Cr2GaC", Materials Chemistry Frontiers, 5, 6082-6091 (2021).
Sivaraman G., Gallington L.C., Krishnamoorthy A.N., Stan M., Csányi G., Vazquez-Mayagoitia A., Benmore C.J., "Experimentally Driven Automated Machine-Learned Interatomic Potential for a Refractory Oxide", Physical Review Letters, 126, 156002 (2021).
Steinhardt W., "Investigating the Ground States of Triangular Antiferromagnet Quantum Spin Liquid Candidates", Ph.D. Dissertation, Duke University (2021).
Torres J., Fanelli V.R., Shinohara Y., May A.F., Ruiz-Rodriguez M., Everett S.M., Hermann R.P., "Resonant ultrasound spectroscopy probe for in-situ neutron scattering measurements", Proceedings of Meetings on Acoustics, Vol. 43, 045001, (2021).
Wang C., Liang J., Luo J., Liu J., Li X., Zhao F., Li R., Huang H., Zhao S., Zhang L., Wang J., Sun X., "A universal wet-chemistry synthesis of solid-state halide electrolytes for all-solid-state lithium-metal batteries", Science Advances, 7, 37, eabh1896 (2021).
Wang R., Sun Y., Brady A., Fleischmann S., Eldred T.B., Gao W., Wang H.W., Jiang D., Augustyn V., "Fast Proton Insertion in Layered H2W2O7 via Selective Etching of an Aurivillius Phase", Advanced Energy Materials, 11, 2003335 (2021).
Wu X., Bai Y., Li Z., Liu J., Zhao K., Du Z., "Effects of charging rates on LiNi0.6Mn0.2Co0.2O2 (NMC622)/graphite Li-ion cells", Journal of Energy Chemistry, 56, 121-126 (2021).
Wu X., Song B., Chien P.H., Everett S.M., Zhao K., Liu J., Du Z., "Structural Evolution and Transition Dynamics in Lithium Ion Battery under Fast Charging: An Operando Neutron Diffraction Investigation", Advanced Science, 8, 21, 2102318 (2021).
Xia X., "Nucleation studies in barium silicate glasses and soda-lime silicate glass", Ph.D. Dissertation, Washington University in St Louis (2021).
Yang G., Li X., Cheng Y.Q., Wang M., Ma D., Sokolov A.P., Kalinin S.V., Veith G.M., Nanda J., "Distilling nanoscale heterogeneity of amorphous silicon using tip-enhanced Raman spectroscopy (TERS) via multiresolution manifold learning", Nature Communications, 12, 578 (2021).
Yang L., "Local Structural Insights into Exotic Electronic States in D- and F-Electron Oxides with Joint Neutron and X-ray Pair Distribution Function Analysis", Ph.D. Dissertation, Columbia University (2021).
Yang Z., Mu L., Hou D., Rahman M.M., Xu Z., Liu J., Nordlund D., Sun C.J., Xiao X., Lin F., "Probing Dopant Redistribution, Phase Propagation, and Local Chemical Changes in the Synthesis of Layered Oxide Battery Cathodes", Advanced Energy Materials, 11, 2002719 (2021).
Yin L., Kwon B.J., Choi Y., Bartel C.J., Yang M., Liao C., Key B., Ceder G., Lapidus S., "Operando X-ray Diffraction Studies of the Mg-Ion Migration Mechanisms in Spinel Cathodes for Rechargeable Mg-Ion Batteries", Journal of the American Chemical Society, 143, 10649-10658 (2021).
Zhang C., Shin W., Zhu L., Chen C., Neuefeind J., Xu Y., Allec S.I., Liu C., Wei Z., Daniyar A., Jiang J., Fang C., Greaney P.A., Ji X., "The electrolyte comprising more robust water and superhalides transforms Zn‐metal anode reversibly and dendrite‐free", Carbon Energy, 3, 339– 348 (2021).
Zhang Q., Liu K., Li C., Li L., Liu X., Li W., Zhang J., "In Situ Induced Surface Reconstruction of Single-Crystal Lithium-Ion Cathode Toward Effective Interface Compatibility", ACS Applied Materials & Interfaces, 13, 11, 13771–13780 (2021).
Zhang Q., Liu K., Li C., Tan S., Li L., Sun X.G., Li W., Liu X., Zhang J., Dai S., "The surface triple-coupling on single crystalline cathode for lithium ion batteries", Nano Energy, 86, 106096 (2021).
Zhao C., Kang K., Neuefeind J., Schleife A., Shoemaker D.P., "In-plane magnetic structure and exchange interactions in the high-temperature antiferromagnet Cr2Al", Physical Review Materials , 5, 084411 (2021).
Zhao M., O'Quinn E.C., Birkner N., Xu Y., Lang M., Brinkman K.S., "Radiation damage and thermal annealing in tunnel structured hollandite materials", Acta Materialia, 206, 116598 (2021).
Zheng X., Xu Z., Li S., Zhang J., Kuai C., Tao L., Rahman M.M., Zhang Y., Zhang Y., Lee S.J., Sun C.J., Li L., Hu W., Nordlund D., Liu J., Liu Y., Lin F., "Reversible Mn/Cr Dual Redox in Cation-Disordered Li-excess Cathode Materials for Stable Lithium Ion Batteries", Acta Materialia, 212, 116935 (2021).
Zhou Q., Shi Y., Deng B., Neuefeind J., Bauchy M., "Experimental method to quantify the ring size distribution in silicate glasses and simulation validation thereof", Science Advances, 7, 28, eabh1761 (2021).
Zverev V., Gimaev R., Miyanaga T., Vaulin A.A., Gubkin A.F., Kovalev B., Dos Santos A.M., Lovell E., Cohen L., Zarkevich N., "Peculiarities of the phase transformation dynamics in bulk FeRh based alloys from magnetic and structural measurements", Journal of Magnetism and Magnetic Materials, 522, 167560 (2021).
2020 66 Publications
Agca C., "Thermodynamics of FeCrAl Spinels at High Temperatures", Ph.D. Dissertation, University of Califonria, Davis (2020).
Agca C., Neuefeind J., McMurray J.W., Weber R.J., Navrotsky A., "Melting Temperature Measurement of Refractory Oxide Ceramics as a Function of Oxygen Fugacity using Containerless Methods", Journal of the American Ceramic Society, 103, 9, 4867-4875 (2020).
Alfailakawi A., "A structural study of correlated materials: incipient mott insulators and low-dimensional systesm.", Ph.D. Dissertation, University of Louisville (2020).
An K., Fu S., "High Entropy Alloys: Advanced Synchrotron X-Ray and Neutron Scattering Studies", Reference Module in Materials Science and Materials Engineering, 40, 339-357 (2020).
Bayliss R.D., Key B., Gautam G.S., Canepa P., Kwon B.J., Lapidus S., Dogan F., Adil A.A., Lipton A.S., Baker P.J., Ceder G., Vaughey J.T., Cabana J., "Probing Mg Migration in Spinel Oxides", Chemistry of Materials, 32, 663-670 (2020).
Cladek B., "Local Structure and Dynamic Studies of mixed CH4-CO2 Gas Hydrates via Computational Simulation and Neutron Scattering", Ph.D. Dissertation, The University of Tennessee, Knoxville (2020).
Converse E.S., Li J., Haskel D., LaBarre P.G., Ramirez A.P., Subramanian M.A., "Os4+ Instability in the Pyrochlore Structure: Tl2–xBixOs2O7–y", Inorganic Chemistry, 59, 1227-1233 (2020).
Culbertson C.M., Flak A.T., Yatskin M., Cheong P.H., Cann D.P., Dolgos M., "Neutron Total Scattering Studies of Group II Titanates (ATiO3, A2+ = Mg, Ca, Sr, Ba)", Scientific Reports, 10, 3729 (2020).
Dai R., "Structure, Thermophysical Properties of Liquids, and Their Connection with Glass Formability", Ph.D. Dissertation, Washington University in St Louis (2020).
Dai R., Neuefeind J., Quirinale D.G., Kelton K.F., "X-ray and neutron scattering measurements of ordering in a Cu46Zr54 liquid", Journal of Chemical Physics, 152, 164504 (2020).
Dang U., Zaheer W., Zhou W., Kandel A., Orr M., Schwenz R.W., Laurita G., Banerjee S., Macaluso R.T., "Lattice Anharmonicity of Stereochemically Active Lone Pairs Controls Thermochromic Band Gap Reduction of Mixed-Anion PbVO3Cl", Chemistry of Materials, 32, 7404-7412 (2020).
Day G.S., Li J., Joseph E.A., Metz P., Perry Z., Ryder M.R., Page K., Zhou H., "Metal oxide decorated porous carbons from controlled calcination of a metal-organic framework", Nanoscale Advances, 2, 2758 (2020).
Doucet M., Samarakoon A.M., Do C., Heller W.T., Archibald R., Tennant D.A., Proffen T., Granroth G.E., "Machine learning for neutron scattering at ORNL", Machine Learning: Science and Technology, 2, 023001 (2020).
Drey D., O'Quinn E.C., Subramani T., Lilova K.I., Baldinozzi G., Gussev I., Fuentes A.F., Neuefeind J., Everett S.M., Sprouster D.J., Navrotsky A., Ewing R.C., Lang M., "Disorder in Ho2Ti2xZrxO7: pyrochlore to defect fluorite solid solution series", RSC Advances, 10, 34632-34650 (2020).
Frandsen B.A., Bozin E.S., Aza E., Martínez A.F., Feygenson M., Page K., Lappas A., "Nanoscale degeneracy lifting in a geometrically frustrated antiferromagnet", Physical Review B, 101, 024423 (2020).
Frandsen B.A., Nickerson S.D., Clark A.H., Solano A., Baral R., Williams J., Neuefeind J., Memmott M., "The structure of molten FLiNaK", Journal of Nuclear Materials, 537, 152219 (2020).
Garcia-Cardona C., Kannan R., Johnston T., Proffen T., Seal S.K., "Structure Prediction from Neutron Scattering Profiles: A Data Sciences Approach", 2020 IEEE International Conference on Big Data (Big Data), Atlanta, GA, pp. 1147-1155, (2020).
Garcia‐Mendez R., Smith J.C., Neuefeind J., Siegel D.J., Sakamoto J., "Correlating Macro and Atomic Structure with Elastic Properties and Ionic Transport of Glassy Li2S‐P2S5 (LPS) Solid Electrolyte for Solid‐State Li Metal Batteries", Advanced Energy Materials, 10, 19, 2000335 (2020).
Geng L., Liu J., Wood III D.L., Qin Y., Lu W., Jafta C.J., Bai Y., Belharouak I., "Probing Thermal Stability of Li-Ion Battery Ni-Rich Layered Oxide Cathodes by means of Operando Gas Analysis and Neutron Diffraction", ACS Applied Energy Materials, 3, 7058-7065 (2020).
Gussev I., O'Quinn E.C., Baldinozzi G., Neuefeind J., Ewing R.C., Zhang F.X., Lang M., "Local order of orthorhombic weberite-type Y3TaO7 as determined by neutron total scattering and density functional theory calculations", Acta Materialia, 196, 704-709 (2020).
Hobbis D., "Investigation into Reduced Thermal Conductivity for Half-Heusler Alloys and Identification of Novel Multinary Chalcogenides Possessing Intrinsically Low Thermal Conductivity", Ph.D. Dissertation, University of South Florida (2020).
Ji H., Wu J., Cai Z., Liu J., Kwon D.H., Urban A., Papp J.K., Foley E., Tian Y., Balasubramanian M., Kim H., Kim H., Clement R.J., McCloskey B., Yang W., Ceder G., "Ultrahigh power and energy density in partially ordered lithium-ion cathode materials", Nature Energy, 5, 213-221 (2020).
Jiang P., Neuefeind J., Avdeev M.V., Huang Q.Z., Yue M., Yang X., Cong R., Yang T., "Unprecedented lattice volume expansion on doping stereochemically active Pb2+ into uniaxially strained structure of CaBa1−xPbxZn2Ga2O7", Nature Communications, 11, 1303 (2020).
Kammert J., Moon J., Cheng Y.Q., Daemen L.L., Irle S., Fung V., Liu J., Page K., Ma X., Phaneuf V., Tong J., Ramirez-Cuesta A.J., Wu Z., "Nature of Reactive Hydrogen for Ammonia Synthesis over a Ru/C12A7 Electride Catalyst", Journal of the American Chemical Society, 142, 16, 7655-7667 (2020).
Kim J.C., Kwon D.H., Yang J.H., Bo S.H., Wu L., Kim H., Kim H., Seo D., Shi T., Wang J., Zhu Y., Ceder G., "Direct Observation of Alternating Octahedral and Prismatic Sodium Layers in O3‐Type Transition Metal Oxides", Advanced Energy Materials, 10, 2001151 (2020).
Lang M., O'Quinn E.C., Neuefeind J., Trautmann C., "Characterization of Radiation Effects and Ion Tracks with Spallation Neutron Probes", Nuclear Physics News, 30, 16-19 (2020).
Lee S.Y., Xu H., "Using Complementary Methods of Synchrotron Radiation Powder Diffraction and Pair Distribution Function to Refine Crystal Structures with High Quality Parameters—A Review", Minerals, 10, 2, 124 (2020).
Li Z., Robertson L.A., Shkrob I., Smith K.C., Cheng L., Zhang L., Moore J.S., Zhang Y., "Realistic Ion Dynamics through Charge Renormalization in Nonaqueous Electrolytes", Journal of Physical Chemistry B, 124, 3214-3220 (2020).
Lin K., Gong P., Chu S., Li Q., Lin Z., Wu H., Wang Q., Wang J., Kim M.J., Kato K., Wang C., Liu X., Huang Q.Z., Chen J., Zhu H., Deng J., Xing X., "Strong Second Harmonic Generation in a Tungsten Bronze Oxide by Enhancing Local Structural Distortion", Journal of the American Chemical Society, 142, 7480-7486 (2020).
Liu Z., Ma S.G., Liu J., Xiong S., Ma Y., Chen H., "High Ionic Conductivity Achieved in Li3Y(Br3Cl3) Mixed Halide Solid Electrolyte via Promoted Diffusion Pathways and Enhanced Grain Boundary", ACS Energy Letters, 6, 298–304 (2020).
Lun Z., Ouyang B., Cai Z., Clement R.J., Kwon D.H., Huang J., Papp J.K., Balasubramanian M., Tian Y., McCloskey B., Ji H., Kim H., Kitchaev D.A., Ceder G., "Design Principles for High-Capacity Mn-Based Cation-Disordered Rocksalt Cathodes", Chem, 6, 153-168 (2020).
Lun Z., Ouyang B., Kwon D.H., Ha Y., Foley E., Huang T., Cai Z., Balasubramanian M., Sun Y., Huang J., Tian Y., Kim H., Kim H., McCloskey B., Yang W., Clement R.J., Ji H., Ceder G., "Cation-disordered rocksalt-type high-entropy cathodes for Li-ion batteries", Nature Materials, 20, 214–221 (2020).
McCoy S.E., Salasin J.R., Everett S.M., Rawn C.J., "Synthesis and structural characterization of Ca12Ga14O33", Scientific Reports, 10, 16311 (2020).
Nienhuis E., "Structure of Glasses and Glass-forming Liquids with Application to Nuclear Waste Vitrification", Ph.D. Dissertation, Washington State University (2020).
Nienhuis E., Marcial J., Robine T., Le Losq C., Neuville D.R., Stennett M.C., Hyatt N.C., McCloy J.S., "Effect of Ti4+ on the structure of nepheline (NaAlSiO4) glass", Geochimica et Cosmochimica Acta, 290, 333-351 (2020).
Novak E., "Structure and Hydrogen Dynamics of Alkaline Earth Metal Hydrides Investigated with Neutron Scattering", Ph.D. Dissertation, University of Tennessee (2020).
O'Quinn E.C., Sickafus K.E., Ewing R.C., Baldinozzi G., Neuefeind J., Tucker M.G., Fuentes A.F., Drey D., Lang M., "Predicting short-range order and correlated phenomena in disordered crystalline materials", Science Advances, 6, eabc2758 (2020).
Onodera Y., Kohara S., Salmon P.S., Hirata A., Nishiyama N., Kitani S., Zeidler A., Shiga M., Masuno A., Inoue H., Tahara S., Polidori A., Fischer H.E., Mori T., Kojima S., Kawaji H., Kolesnikov A.I., Stone M.B., Tucker M.G., McDonnell M.T., Hannon A.C.,, "Structure and properties of densified silica glass: characterizing the order within disorder", NPG Asia Materials, 12, 85 (2020).
Paecklar A., "Local Structure Studies in Functional Materials and Self-Regulated Learning Interventions in General Chemistry Courses", Ph.D. Dissertation, Colorado State University (2020).
Pekarek R.T., Affolter A., Baranowski L.L., Coyle J., Hou T., Sivonxay E., Smith B.A., McAuliffe R.D., Persson K.A., Key B., Apblett C., Veith G.M., Neale N.R., "Intrinsic chemical reactivity of solid-electrolyte interphase components in silicon–lithium alloy anode batteries probed by FTIR spectroscopy", Journal of Materials Chemistry A, 8, 16, 7897-7906 (2020).
Peterson G.G., "The Design of Complex Intermetallic Structures or: How I Learned to Stop Worrying and Love Chemical Frustration", Ph.D. Dissertation, University of Wisconsin - Madison (2020).
Peterson G.G., Berns V.M., Fredrickson D.C., "Mn39Si9Nx: Epitaxial Stabilization as a Pathway to the Formation of Intermetallic Nitrides", Journal of the American Chemical Society, 142, 8575-8579 (2020).
Preefer M.B., "From Lithium–Sulfur to Lithium–Ion: Strategies for Improved Battery Materials", Ph.D. Dissertation, University of California, Santa Barbara (2020).
Robinson M.L., Whitaker E., Jin L., Hayward M.A., Laurita G., "Evidence of Paracrystalline Cation Order in the Ruddlesden−Popper Phase LaSr3NiRuO8 through Neutron Total Scattering Techniques", Inorganic Chemistry, 59, 3026-3033 (2020).
Schneeloch J.A., Tao Y., Duan C., Matsuda M., Aczel A.A., Fernandez-Baca J.A., Xu G., Neuefeind J., Yang J., Louca D.A., "Evolution of the structural transition in Mo1−xWxTe2", Physical Review B, 102, 054105 (2020).
Sellers M.E., "Studies of Maximum Supercooling and Stirring in Levitated Liquid Metallic Alloys", Ph.D. Dissertation, Washington University in St Louis (2020).
Shi Y., Gulbiten O., Neuefeind J., Ma D., Song A.P., Wheaton B., Bauchy M., Elliott S.R., "Temperature-induced structural change through the glass transition of silicate glass by neutron diffraction", Physical Review B, 101, 134106 (2020).
Shi Y., Ma D., Song A.P., Wheaton B., Bauchy M., Elliott S.R., "Structural evolution of fused silica below the glass-transition temperature revealed by in-situ neutron total scattering", Journal of Non-Crystalline Solids, 528, 119760 (2020).
Spano T.L., Niedziela J., Shields A.E., McFarlane J., Zirakparvar A., Brubaker Z., Kapsimalis R.J., Miskowiec A., "Structural, Spectroscopic, and Kinetic Insight into the Heating Rate Dependence of Studtite and Metastudtite Dehydration", Journal of Physical Chemistry C, 124, 49, 26699–26713 (2020).
Sun B., Niu S., Hermann R.P., Moon J., Shulumba N., Page K., Zhao B., Thind A.S., Mahalingam K., Milam-Guerrero J., Haiges R., Mecklenburg M., Melot B.C., Jho Y., Howe B.M., Mishra R., Alatas A., Winn B.L., Manley M.E., Ravichandran J., Minnich A.J., "High frequency atomic tunneling yields ultralow and glass-like thermal conductivity in chalcogenide single crystals", Nature Communications, 11, 6039 (2020).
Sun W., Wang H.W., Vlcek L., Peng J., Brady A., Osti N.C., Mamontov E., Tyagi M., Nanda J., Greenbaum S.G., Kent P.R., Naguib M., "Multiscale and Multimodal Characterization of 2D Titanium Carbonitride MXene", Advanced Materials Interfaces, 7, 1902207 (2020).
Tran T.T., Pocs C.A., Zhang Y., Winiarski M.J., Sun J., Lee M., McQueen T.M., "Spinon excitations in the quasi-one-dimensional S = 1/2 chain compound Cs4CuSb2Cl12", Physical Review B, 101, 235107 (2020).
Van Hoesen D.C., "Thermophysical Properties and Phase Transformations in Metallic Liquids and Silicate Glasses", Ph.D. Dissertation, Washington University in St Louis (2020).
Wang J., Zhou D., He X., Zhang L., Cao X., Ning D., Yan B., Qi X., Murzin V., Paillard E., Liu X., Schumacher G., Winter M., Li J., Li J., "Insights into P2-Type Layered Positive Electrodes for Sodium Batteries: From Long- to Short-Range Order", ACS Applied Materials & Interfaces, 12, 5017-5024 (2020).
Wang R., "Improvement of Electrochemical Ion Insertion Kinetics in Tungsten Oxides With Structural Water and Trace Water in a Non-Aqueous Electrolyte", Ph.D. Dissertation, North Carolina State University (2020).
Wegner A., Louca D.A., Taddei K.M., Neuefeind J., "Charge density modulation and defect ordering in the Na x MnBi y magnetic semimetal", Physical Review B, 102, 020403(R) (2020).
Wegner A., Zhao J., Li J., Yang J., Anikin A.A., Karapetrov G., Esfarjani K., Louca D.A., Chatterjee U., "Evidence for pseudo–Jahn-Teller distortions in the charge density wave phase of 1T-TiSe2", Physical Review B, 101, 195145 (2020).
Wright A.J., "Thermomechanical Properties of Medium- and High-Entropy Oxides and Their Interaction with Molten Salts", Ph.D. Dissertation, University of California San Diego (2020).
Yahya A., Tan L., Perticaroli S., Mamontov E., Pajerowski D.M., Neuefeind J., Ehlers G., Nickels J.D., "Molecular origins of bulk viscosity in liquid water", Physical Chemistry Chemical Physics, 22, 9494-9502 (2020).
Yang L., Juhas P., Terban M.W., Tucker M.G., Billinge S.J., "Structure-mining: Screening structure models by automated fitting to the atomic pair distribution function over large numbers of models", Acta Crystallographica Section A, A76, 395-409 (2020).
Yang L., Koch R., Zheng H., Mitchell J.F., Yin W., Tucker M.G., Billinge S.J., Bozin E.S., "Two-orbital degeneracy lifted local precursor to a metal-insulator transition in MgTi2 O4", Physical Review B, 102, 235128 (2020).
Yin L., Li Z., Mattei G.S., Zheng J., Zhao W., Omenya F., Fang C., Li W., Li J., Xie Q., Erickson E.M., Zhang J.G., Whittingham M.S., Meng Y.S., Manthiram A., Khalifah P.G., "Thermodynamics of anti-site defects in layered NMC cathodes: systematic insights from high-precision powder diffraction analyses", Chemistry of Materials, 32, 1002-1010 (2020).
Yu J., Wang M., Frandsen B.A., Sun H., Yin J., Liu Z., Wu S., Yi M., Xu Z., Acharya A., Huang Q.Z., Bourret-Courchesne E., Lynn J.W., Birgeneau R.J., "Structural, magnetic, and electronic evolution of the spin-ladder system BaFe2S3−xSex with isoelectronic substitution", Physical Review B, 101, 235134 (2020).
Zhang Y., Eremenko M., Krayzman V., Tucker M.G., Levin I., "New capabilities for enhancement of RMCProfile: instrumental profiles with arbitrary peak shapes for structural refinements using the reverse Monte Carlo method", Journal of Applied Crystallography, 53, 1509-1518 (2020).
Zhang Y., Poe D., Heroux L., Squire H., Doherty B.W., Long Z., Dadmun M., Gurkan B., Tuckerman M.E., Maginn E.J., "Liquid Structure and Transport Properties of the Deep Eutectic Solvent Ethaline", Journal of Physical Chemistry B, 124, 5251-5264 (2020).
Zhao E., Zhang M., Wang X., Hu E., Liu J., Yu X., Olguin M., Wynn T., Meng Y.S., Page K., Wang F., Li H., Yang X.Q., Huang X., Chen L., "Local Structure Adaptability through Multi Cations for Oxygen Redox Accommodation in Li-Rich Layered Oxides", Energy Storage Materials, 24, 384-393 (2020).
2019 56 Publications
Alderman O.L., Benmore C.J., Neuefeind J., Tamalonis A., Weber R.J., "Molten barium titanate: a high-pressure liquid silicate analogue", Journal of Physics: Condensed Matter, 31, 20, LT01 (2019).
Alyami A.S., "Study of Local Atomic Order and Disorder in Ni-Cr and Ni-V Alloys", Master's Thesis, Kent State University (2019).
Athauda A., Louca D.A., "Nanoscale Atomic Distortions in the BiS2 Superconductors: Ferrodistortive Sulfur Modes", Journal of the Physical Society of Japan, 88, 4, 041004 (2019).
Brechtl J., Wang H., Kumar N.A., Yang T., Lin Y.R., Bei H., Neuefeind J., Dmowski W., Zinkle S.J., "Investigation of the thermal and neutron irradiation response of BAM-11 bulk metallic glass", Journal of Nuclear Materials, 526, 151771 (2019).
Chung C.K., O'Quinn E.C., Neuefeind J., Fuentes A.F., Xu H., Lang M., Navrotsky A., "Thermodynamic and structural evolution of mechanically milled and swift heavy ion irradiated Er2Ti2O7 pyrochlore", Acta Materialia, 181, 309-317 (2019).
Dragomir M., Dube P.A., Arcon I., Boyer C., Rutherford M., Wiebe C.R., King G., Dabkowska H.A., Greedan J.E., "Comparing Magnetism in Isostructural Oxides A0.8La1.2MnO4.1: Anisotropic Spin Glass (A = Ba) Versus Long Range Order (A = Sr)", Chemistry of Materials, 31, 7833-7844 (2019).
Feng R., "Experimental and Theoretical Design and Study of Advanced Precipitation-Strengthened High-Entropy Alloys", Ph.D. Dissertation, University of Tennessee (2019).
Flores A.V., Krueger A.E., Stiner A.J., Albert H.M., Mansur T., Willis V., Lee C.C., Garay L.J., Nguyen L., Frank M.A., Barnes P.W., Fry-Petit A.M., "Comparison of the Crystal Chemistry of Tellurium (VI), Molybdenum (VI), and Tungsten (VI) in Double Perovskite Oxides and Related Materials", Progress in Solid State Chemistry, 56, 100251 (2019).
Garcia-Cardona C., Kannan R., Johnston T., Proffen T., Page K., Seal S.K., "Learning to Predict Material Structure from Neutron Scattering Data", 2019 IEEE International Conference on Big Data (Big Data), (2019).
Haberl B., Molaison J.J., Neuefeind J., Daemen L.L., Boehler R., "Modified Bridgman anvils for high pressure synthesis and neutron scattering", High Pressure Research, 39, 426-437 (2019).
He A., Bux S., Hu Y., Uhl D., Li L., Donadio D., Kauzlarich S.M., "Structural Complexity and High Thermoelectric Performance of the Zintl Phase: Yb21Mn4Sb18", Chemistry of Materials, 31, 8076-8086 (2019).
Hobbis D., Hermann R.P., Wang H., Parker D.S., Pandey T., Martin J., Page K., Nolas G.S., "Structural, Chemical, Electrical, and Thermal Properties of n‑Type NbFeSb", Inorganic Chemistry, 58, 3, 1826–1833 (2019).
Jayathilake R.S., "Oxygen Storage Properties of Ternary Metal Oxide Systems for Chemical Looping Reactions", Ph.D. Dissertation, University of Maryland, College Park (2019).
Ji H., Urban A., Kitchaev D.A., Kwon D.H., Artrith N., Ophus C., Huang W., Cai Z., Shi T., Kim J.C., Kim H., Ceder G., "Hidden structural and chemical order controls lithium transport in cation-disordered oxides for rechargeable batteries", Nature Communications, 10, 592 (2019).
Kupwade-Patil K., Boul P.J., Rasner D.K., Everett S.M., Proffen T., Page K., Ma D., Olds D., Thaemlitz C.J., Buyukozturk O., "Retarder effect on hydrating oil well cements investigated using in situ neutron/X-ray pair distribution function analysis", Cement and Concrete Research, 126, 105920 (2019).
Lee S., " Investigation of Nanominerals in Geological Systems Using X-Ray, Neutron, and Electron Beams", Ph.D. Dissertation, University of Wisconsin - Madison (2019).
Li H., Li H.F., "Structure, Properties, and Potential Applications of Polydopamine Materials", Ph.D. Dissertation, Temple University (2019).
Li S., Taddei K.M., Wang X., Wu H., Neuefeind J., Zackaria D., Liu X., dela Cruz C., Lv B., "Thermal expansion coefficients of high thermal conducting BAs and BP materials", Applied Physics Letters, 115, 011901 (2019).
Li Z., Shin W., Chen Y., Neuefeind J., Greaney P.A., Ji X., "Low-Temperature Pyrolyzed Soft Carbon as High Capacity K-Ion Anode", ACS Applied Energy Materials, 2, 4053-4058 (2019).
Liu J., Wang X., Borkiewicz O.J., Hu E., Xiao R., Chen L., Page K., "Unified View of the Local Cation-Ordered State in Inverse Spinel Oxides", Inorganic Chemistry, 58, 14389-14402 (2019).
Mangelis P., Koch R.J., Lei H., Neder R.B., McDonnell M.T., Feygenson M., Petrovic C., Lappas A., Bozin E.S., "Correlated disorder-to-order crossover in the local structure of K x Fe 2 − y Se 2 − z S z", Physical Review B, 100, 094108 (2019).
Marcial J., McCloy J.S., "Role of short range order on crystallization of tectosilicate glasses: A diffraction study", Journal of Non-Crystalline Solids, 505, 131-143 (2019).
McCloy J.S., Marcial J., Riley B., Neuefeind J., Crum J., Patil D., "Method Development for High Temperature In-Situ Neutron Diffraction Measurements of Glass Crystallization on Cooling from Melt", MRS Advances, 4, 17-18, 1009-1019 (2019).
Metz P., Page K., "In situ neutron PDF measurements of material in transformation: MXene and ferrite case studies", Acta Crystallographica Section A, A75, A302 (2019).
Moon J., Hermann R.P., Manley M.E., Alatas A., Said A.H., Minnich A.J., "Thermal acoustic excitations with atomic-scale wavelengths in amorphous silicon", Physical Review Materials , 3, 065601 (2019).
Munirathnappa A.K., Neuefeind J., Yanda P., Sundaresan A., Kityk I.V., Ozga K., Jedryka J., Poornesh P., Rao A., Sundaram N.G., "Average Structure, Local Structure, Photoluminescence and NLO properties of Scheelite type NaCe(WO4)2", Crystal Growth and Design, 19, 11, 6082-6091 (2019).
Palomares R.I., McDonnell M.T., Yang L., Yao T., Szymanowski J.E., Neuefeind J., Sigmon G.E., Lian J., Tucker M.G., Wirth B.D., Lang M., "Oxygen point defect accumulation in single-phase U O 2 + x", Physical Review Materials , 3, 053611 (2019).
Pracheil B.M., George R., Chakoumakos B.C., "Significance of otolith calcium carbonate crystal structure diversity to microchemistry studies", Reviews in Fish Biology and Fisheries, 29, 569-588 (2019).
Rong X., Hu E., Lu Y., Meng F., Zhao C., Wang X., Zhang Q., Yu X., Gu L., Hu Y.S., Li H., Huang X., Yang X.Q., Delmas C., Chen L., "Anionic Redox Reaction-Induced High-Capacity and Low-Strain Cathode with Suppressed Phase Transition", Joule, 3, 2, 503-517 (2019).
Sang X., Naguib M., Alhabeb M., Unocic R.R., "Effect of Synthesis Methods on the Structure and Defects of Two-Dimensional MXenes", 111-123 2D Metal Carbides and Nitrides (MXenes) Springer (2019).
Semrouni D., Wang H.W., Clark S.B., Pearce C.I., Page K., Schenter G.K., Wesolowski D.J., Stack A.G., Clark A., "Resolving local configurational contributions to X-ray and neutron radial distribution functions within solutions of concentrated electrolytes – a case study of concentrated NaOH", Physical Chemistry Chemical Physics, 21, 13, 6828-6838 (2019).
Shan X., Guo F., Charles D.S., Lebens-Higgins Z., Razek S.A., Wu J., Xu W., Yang W., Page K., Neuefeind J., Feygenson M., Piper L.F., Teng X., "Structural water and disordered structure promote aqueous sodium-ion energy storage in sodium-birnessite", Nature Communications, 10, 4975 (2019).
Shan X., Guo F., Page K., Neuefeind J., Ravel B., Abeykoon A.M., Kwon G., Olds D., Su D., Teng X., "Framework Doping of Ni Enhances Pseudocapacitive Na-ion Storage of (Ni)MnO2 Layered Birnessite", Chemistry of Materials, 31, 8774-8786 (2019).
Shi C., Alderman O.L., Berman D., Du J., Neuefeind J., Tamalonis A., Weber R.J., You J.H., Benmore C.J., "The Structure of Amorphous and Deeply Supercooled Liquid Alumina", Frontiers in Materials, 6, 38, (2019).
Shi Y., Neuefeind J., Ma D., Page K., Lamberson L.A., Smith N.J., Tandia A., Song A.P., "Ring size distribution in silicate glasses revealed by neutron scattering first sharp diffraction peak analysis", Journal of Non-Crystalline Solids, 516, 71-81 (2019).
Skjaervo S.H., Meier Q.N., Feygenson M., Spaldin N.A., Billinge S.J., Bozin E.S., Selbach S.M., "Unconventional continuous structural disorder at the order-disorder phase transition in the hexagonal manganites", Physical Review X, 9, 031001 (2019).
Song B., Hu E., Liu J., Zhang Y., Yang X.Q., Nanda J., Huq A., Page K., "A novel P3-type Na2/3Mg1/3Mn2/3O2 as high capacity sodium-ion cathode using reversible oxygen redox", Journal of Materials Chemistry A, 7, 4, 1491-1498 (2019).
Song B., Tang M., Hu E., Borkiewicz O.J., Wiaderek K.M., Zhang Y., Phillip N.D., Liu X., Shadike Z., Li C., Song L., Hu Y.Y., Chi M., Veith G.M., Yang X.Q., Liu J., Nanda J., Page K., Huq A., "Understanding the Low Voltage Hysteresis of Anionic Redox in Na2Mn3O7", Chemistry of Materials, 31, 10, 3756-3765 (2019).
Taddei K.M., Sanjeewa L.D., Lei B., Fu Y., Zheng Q., Singh D.J., Sefat A.S., dela Cruz C., "Tuning from frustrated magnetism to superconductivity in quasi-one-dimensional KCr3As3 through hydrogen doping", Physical Review B, 100, 220503(R) (2019).
Wang H.W., Graham T.R., Mamontov E., Page K., Stack A.G., Pearce C.I., "Countercations Control Local Specific Bonding Interactions and Nucleation Mechanisms in Concentrated Water-in-Salt Solutions", Journal of Physical Chemistry Letters, 10, 3318-3325 (2019).
Wang R., " Title Magnetic fluctuations and clusters in the itinerant ferromagnet Ni-V close to a disordered quantum critical point", Ph.D. Dissertation, Kent State University (2019).
Wang Y., Dong X., Tang X., Zheng H., Li K., Lin X., Fang L., Sun G.A., Chen X., Xie L., Bull C.L., Funnell N.P., Hattori T., Sano-Furukawa A., Chen J., Hensley D.K., Cody G.D., Ren Y., Lee H.H., Mao H., "Pressure‐Induced Diels‐Alder Reactions in C6H6‐C6F6 Cocrystal towards Graphane Structure", Angewandte Chemie International Edition, 58, 5, 1468-1473 (2019).
Weber R.J., "Extreme Temperature Sample Environment for Materials Research Using Neutron Scattering", Materials Development Inc. MDI-18601 (2019).
Wendt D., Bozin E.S., Neuefeind J., Page K., Ku W., Wang L., Fultz B., Tkachenko A., Zaliznyak I.A., "Entropic elasticity and negative thermal expansion in a simple cubic crystal", Science Advances, 5, 11, eaay2748 (2019).
Wu S., Phelan W.A., Liu L., Morey J.R., Tutmaher J.A., Neuefeind J., Huq A., Stone M.B., Feygenson M., Tam D.W., Frandsen B.A., Trump B.A., Wan C., Dunsiger S.R., McQueen T.M., Uemura Y.J., Broholm C., "Incommensurate Magnetism Near Quantum Criticality in CeNiAsO", Physical Review Letters, 122, 197203 (2019).
Wu X., Hong J.J., Shin W., Ma L., Liu T., Bi X., Yuan Y., Qi Y., Surta T.W., Huang W., Neuefeind J., Wu T., Greaney P.A., Lu J., Ji X., "Diffusion-free Grotthuss topochemistry for high-rate and long-life proton batteries", Nature Energy, 4, 2, 123-130 (2019).
Xu H., Guo X., Seaman L.A., Harrison A.J., Obrey S.J., Page K., "Thermal desulfurization of pyrite: An in situ high-T neutron diffraction and DTA–TGA study", Journal of Materials Research, 34, 19, 3243-3253 (2019).
Yang L., Li X., Liu J., Xiong S., Ma X., Liu P., Bai J., Xu W., Tang Y., Hu Y.Y., Liu M., Chen H., "Lithium-doping stabilized high-performance P2-Na0.66Li0.18Fe0.12Mn0.7O2 cathode for sodium ion batteries", Journal of the American Chemical Society, 141, 16, 6680-6689 (2019).
Zhang H., Liu S., Nelson C., Bezmaternykh L.N., Chen Y.S., Wang S.G., Lobo R., Page K., Matsuda M., Pajerowski D.M., Williams T.J., Tyson T.A., "Structural Features Associated with Multiferroic Behavior in the RX3(BO3)4 System", Journal of Physics: Condensed Matter, 31, 505704 (2019).
Zhang J., Yan J.Q., Calder S., Zheng Q., McGuire M.A., Abernathy D.L., Ren Y., Lapidus S., Page K., Zheng H., Freeland J.W., Budai J.D., Hermann R.P., "Long-Range Antiferromagnetic Order in a Rocksalt High Entropy Oxide", Chemistry of Materials, 31, 10, 3705-3711 (2019).
Zhang Y., "Post-synthetic Control of Defects in Layered Li(NixMnyCoz)O2 Cathode Materials", Ph.D. Dissertation, State University of New York at Stony Brook (2019).
Zhang Y., McDonnell M.T., Calder S., Tucker M.G., "Mechanistic Insights into the Superexchange-Interaction-Driven Negative Thermal Expansion in CuO", Journal of the American Chemical Society, 141, 15, 6310-6317 (2019).
Zhang Y., McDonnell M.T., Liu W., Tucker M.G., "Reverse Monte Carlo modeling for low-dimensional systems", Journal of Applied Crystallography, 52, 1035-1042 (2019).
Zhang Y., Scholz T., Dronskowski R., McDonnell M.T., Tucker M.G., "Local magnetic cluster size identified by neutron total scattering in the site-diluted spin glass SnxFe4−xN (x = 0.88)", Physical Review B, 100, 014419 (2019).
Zhao E., Li Q., Meng F., Liu J., Wang J., He L., Jiang Z., Zhang Q., Yu X., Gu L., Yang W., Li H., Wang F., Huang X., "Stabilizing the Oxygen Lattice and Reversible Oxygen Redox Chemistry through Structural Dimensionality in Lithium‐Rich Cathode Oxides", Angewandte Chemie International Edition, 58, 13, 4323-4327 (2019).
Zuniga J., Gupta S., Abdou M.A., Santiago H., Puretzky A., Thomas M.P., Guiton B.S., Liu J., Mao Y., "Size, structure, and luminescence of Nd2Zr2O7 nanoparticles by molten salt synthesis", Journal of Materials Science, 19, 12411-12423 (2019).
2018 72 Publications
Alderman O.L., Benmore C.J., Neuefeind J., Coillet E., Mermet A., Martinez V., Tamalonis A., Weber R.J., "Amorphous tantala and its relationship with the molten state", Physical Review Materials , 2, 4, 043602 (2018).
Bernasconi A., Page K., Dai Z., Tan L.Z., Rappe A.M., Malavasi L., "Ubiquitous Short-Range Distortion of Hybrid Perovskites and Hydrogen-Bonding Role: the MAPbCl3 Case", Journal of Physical Chemistry C, 122, 49, 28265–28272 (2018).
Bernges T., Culver S.P., Minafra N., Koerver R., Zeier W.G., "Competing Structural Influences in the Li Superionic Conducting Argyrodites Li6PS5−xSexBr (0 ≤ x ≤ 1) upon Se Substitution", Inorganic Chemistry, 57, 21, 13920-13928 (2018).
Bhat S.M., Babu S.S., Feygenson M., Neuefeind J., Shaijumon M.M., "Nanostructured Na2Ti9O19 for Hybrid Sodium-Ion Capacitors with Excellent Rate Capability", ACS Applied Materials & Interfaces, 10, 1, 437–447 (2018).
Calder S., An K., Boehler R., dela Cruz C., Frontzek M., Guthrie M., Haberl B., Huq A., Kimber S.A., Liu J., Molaison J.J., Neuefeind J., Page K., Dos Santos A.M., Taddei K.M., Tulk C.A., Tucker M.G., "A suite-level review of the neutron powder diffraction instruments at Oak Ridge National Laboratory", Review of Scientific Instruments, 89, 9, 092701 (2018).
Charles D.S., "Investigation of Aqueous Potassium-ion Energy Storage of Hydrated Disordered Vanadium Oxide", Ph.D. Dissertation, University of New Hampshire (2018).
Chen D.P., Losovyj Y., Skrabalak S.E., "n-Type Doping of Visible-Light-Absorbing (GaN)1–x(ZnO)x with Aliovalent Sn/Si Substitutions", Journal of Physical Chemistry C, 122, 25, 13250-13258 (2018).
Chung C.K., Shamblin J., O'Quinn E.C., Shelyug A., Gussev I., Lang M., Navrotsky A., "Thermodynamic and structural evolution of Dy2Ti2O7 pyrochlore after swift heavy ion irradiation", Acta Materialia, 145, 227-234 (2018).
Cladek B., Everett S.M., McDonnell M.T., Tucker M.G., Keffer D.J., Rawn C.J., "Guest-Host Interactions in Mixed CH4 – CO2 Hydrates: Insights from Molecular Dynamic Simulations", Journal of Physical Chemistry C, 122, 34, 19575-19583 (2018).
Datta K., Neder R.B., Richter A.G., Göbbels M., Neuefeind J., Mihailova B., "Adaptive strain prompting a pseudo-morphotropic phase boundary in ferroelectric (1-x)Na0.5Bi0.5TiO3−xBaTiO3", Physical Review B, 97, 184101 (2018).
Dos Santos A.M., Molaison J.J., Haberl B., Krishna L., Page K., Loguillo M.J., Wang X.P., "The high pressure gas capabilities at Oak Ridge National Laboratory’s neutron facilities", Review of Scientific Instruments, 89, 9, 092907 (2018).
Fabini D.H., "Main-Group Halide Perovskites: Structural & Dynamical Insights for Photovoltaic Performance", Ph.D. Dissertation, University of California Santa Barbara (2018).
Feng R., Gao M.C., Zhang C., Guo W.T., Poplawsky J., Zhang F., Hawk J.A., Neuefeind J., Ren Y., Liaw P.K., "Phase stability and transformation in a light-weight high-entropy alloy", Acta Materialia, 146, 280-293 (2018).
Frandsen B.A., Taddei K.M., Bugaris D.E., Stadel R., Yi M., Acharya A., Osborn R., Rosenkranz S., Chmaissem O., Birgeneau R.J., "Widespread orthorhombic fluctuations in the (Sr,Na)Fe2As2 family of superconductors", Physical Review B, 98, 18, 180505(R) (2018).
Garcia-Negron V., Oyedele A., Ponce E., Rios O., Harper D., Keffer D.J., "Evaluation of nano- and mesoscale structural features in composite materials through hierarchical decomposition of the radial distribution function", Journal of Applied Crystallography, 51, 1, 76-86 (2018).
Gebretsadik A.S., "Interplay Between Chemical and Magnetic Disorder in Selected Alloys Close to a Ferromagnetic Quantum Phase Transition", Ph.D. Dissertation, Kent State University (2018).
Golovchak R., Kozdras A., Hodge T.A., Szlezak J., Boussard-Pledel C., Shpotyuk Y., Bureau B., "Optical and thermal properties of Sb/Bi-modified mixed Ge-Ga-Se-Te glasses", Journal of Alloys and Compounds, 750, 721-728 (2018).
Golovchak R., Shpotyuk Y., Szlezak J., Dziedzic A., Ingram A., Cebulski J., "Giant visible and infrared light attenuation effect in nanostructured narrow-bandgap glasses", Optics Letters, 43, 387-390, 3 (2018).
Graham T.R., Semrouni D., Mamontov E., Ramirez-Cuesta A.J., Page K., Clark A., Schenter G.K., Pearce C.I., Stack A.G., Wang H.W., "Coupled Multimodal Dynamics of Hydrogen-Containing Ion Networks in Water-Deficient, Sodium Hydroxide-Aluminate Solutions", Journal of Physical Chemistry B, 122, 50, 12097-12106 (2018).
Granroth G.E., An K., Smith H.L., Whitfield P., Neuefeind J., Lee J., Zhou W., Sedov V.N., Peterson P.F., Parizzi A., Skorpenske H.D., Hartman S.M., Huq A., Abernathy D.L., "Event-based processing of neutron scattering data at the Spallation Neutron Source", Journal of Applied Crystallography, 51, 1-14 (2018).
Jackson G.L., "Nanoconfined Water and Water-mediated Ion Transport in Model Lyotropic Liquid Crystals", Ph.D. Dissertation, University of Wisconsin - Madison (2018).
Lacivita V., Westover A.S., Kercher A.K., Phillip N.D., Yang G., Veith G.M., Ceder G., Dudney N.J., "Resolving the Amorphous Structure of Lithium Phosphorus Oxynitride (Lipon)", Journal of the American Chemical Society, 140, 35, 11029-11038 (2018).
Lamontagne L., "Electronic Functionality in Complex Palladium Oxides", Ph.D. Dissertation, University of California Santa Barbara (2018).
Lan S., Wu Z., Wei X., Zhou J., Lu Z.P., Neuefeind J., Wang X.L., "Structure origin of a transition of classic-to-avalanche nucleation in Zr-Cu-Al bulk metallic glasses", Acta Materialia, 149, 108-118 (2018).
Lang M., O'Quinn E.C., Shamblin J., Neuefeind J., "Advanced Experimental Technique for Radiation Damage Effects in Nuclear Waste Forms: Neutron Total Scattering Analysis", MRS Advances, 3, 31, 1735-1747 (2018).
Li B., Wang H., Kawakita Y., Zhang Q., Feygenson M., Yu H.L., Wu D., Ohara K., Kikuchi T., Shibata K., Yamada T., Ning X.K., Chen Y., He J.Q., Vaknin D., Wu R.Q., Nakajima K., Kanatzidis M.G., "Liquid-like thermal conduction in intercalated layered crystalline solids", Nature Materials, 17, 226–230 (2018).
Li Z., Chen Y., Jian Z., Jiang H., Razink J.J., Stickle W.F., Neuefeind J., Ji X., "Defective Hard Carbon Anode for Na-ion Batteries", Chemistry of Materials, 30, 14, 4536-4542 (2018).
Liu J., Yin L., Yang X.Q., Khalifah P.G., "Li3VP3O9N as a multi-electron redox cathode for Li-ion battery", Chemistry of Materials, 30, 14, 4609-4616 (2018).
Liu J., Yu L., Hu E., Guiton B.S., Yang X.Q., Page K., "Large-Scale Synthesis and Comprehensive Structure Study of δ-MnO2", Inorganic Chemistry, 57, 12, 6873-6882 (2018).
Losey B.P., "Understanding Solvation: A Case Study in Zinc Chloride Dissolution", Ph.D. Dissertation, North Carolina State University (2018).
Lussier J.A., "Understanding the Structure and Reactivity of Solid State Electrolyte Model Systems", Ph.D. Dissertation, University of Manitoba (2018).
Lussier J.A., Souza D.H., Whitfield P., Bieringer M., "Structural Competition and Reactivity of Rare-Earth Oxide Phases in YxPr2–xO3 (0.05 ≤ x ≤ 0.80)", Inorganic Chemistry, 57, 22, 14106–14115 (2018).
Ma Y., Wang Q., Li C., Santodonato L., Feygenson M., Dong C., Liaw P.K., "Chemical short-range orders and the induced structural transition in high-entropy alloys", Scripta Materialia, 144, 64-84 (2018).
Mangelis P., Lei H., McDonnell M.T., Feygenson M., Petrovic C., Bozin E.S., Lappas A., "On the Nanoscale Structure of KxFe2−yCh2 (Ch = S, Se): A Neutron Pair Distribution Function View", Condensed Matter, 3, 3, 20 (2018).
Maughan A.E., Ganose A.M., Almaker M.A., Scanlon D.O., Neilson J.R., "Tolerance Factor and Cooperative Tilting Effects in Vacancy-Ordered Double Perovskite Halides", Chemistry of Materials, 30, 11, 3909-3919 (2018).
Maughan A.E., Paecklar A., Neilson J.R., "Bond valences and anharmonicity in vacancy-ordered double perovskite halides", Journal of Materials Chemistry C, 6, 44, 12095-12104 (2018).
McCloy J.S., Goel A., Crum J., Riley B., "Final report: Understanding influence of thermal history and glass chemistry on kinetics of phase separation and crystallization in borosilicate glass-ceramic waste forms for aqueous reprocessed high level waste", United States Department of Energy DOE-WSU-8431-1 (2018).
Nullmeyer B.R., Kwon J.W., Robertson J.D., Garnov A.Y., "Self-healing effects in a semi-ordered liquid for stable electronic conversion of high-energy radiation", Scientific Reports, 8, 12404 (2018).
O'Quinn E.C., Bishop J.L., Sherrod R., Neuefeind J., Montemayor S.M., Fuentes A.F., Lang M., "Advanced characterization technique for mechanochemically synthesized materials: neutron total scattering analysis", Journal of Materials Science, 53, 13400-13410 (2018).
Olds D., Lawler K.V., Paecklar A., Liu J., Page K., Peterson P.F., Forster P.M., Neilson J.R., "Capturing the details of N2 adsorption in zeolite X using stroboscopic isotope contrasted neutron total scattering", Chemistry of Materials, 30, 1, 296–302 (2018).
Olds D., Mills R.A., McDonnell M.T., Liu J., Kim J.R., Dunstan M.T., Gaultois M.W., Everett S.M., Tucker M.G., Page K., "A high temperature gas flow environment for neutron total scattering studies of complex materials", Review of Scientific Instruments, 89, 9, 092906 (2018).
Olds D., Saunders C.N., Peters M., Proffen T., Neuefeind J., Page K., "Precise implications for real‐space pair distribution function modeling of effects intrinsic to modern time‐of‐flight neutron diffractometers", Acta Crystallographica Section A, 74, 4, (2018).
Peterson P.F., Olds D., Savici A.T., Zhou W., "Advances in utilizing event based data structures for neutron scattering experiments", Review of Scientific Instruments, 89, 9, 093001 (2018).
Peys A., "Inorganic polymers from CaO-FeO-SiO2 slags: Processing, reaction mechanism and molecular structure", Ph.D. Dissertation, Katholieke Universiteit Leuven (2018).
Peys A., White C.E., Olds D., Rahier H., Blanpain B., Pontikes Y., "Molecular structure of CaO‐FeOx‐SiO2 glassy slags and resultant inorganic polymer binders", Journal of the American Ceramic Society, 101, 12, 5846-5857 (2018).
Phelan D., Han F., Lopez-Bezanill A., Krogstad M.J., Gim Y., Rong Y., Zhang J., Parshall D., Zheng H., Cooper S.L., Feygenson M., Yang W., Chen Y.S., "Structural Properties of Barium Stannate", Journal of Solid State Chemistry, 262, 142-148 (2018).
Rong X., Liu J., Hu E., Liu Y., Wang Y., Wu J., Yu X., Page K., Hu Y.S., Yang W., Li H., Yang X.Q., Chen L., Huang X., "Structure-Induced Reversible Anionic Redox Activity in Na Layered Oxide Cathode", Joule, 2, 1, 125-140 (2018).
Santodonato L., Liaw P.K., Unocic R.R., Bei H., Morris J.R., "Predictive multiphase evolution in Al-containing high-entropy alloys", Nature Communications, 9, 4520 (2018).
Shamblin J., Heres M., Zhou H.D., Sangoro J.R., Lang M., Neuefeind J., Alonso J.A., Johnston S., "Experimental evidence for bipolaron condensation as a mechanism for the metal-insulator transition in rare-earth nickelates", Nature Communications, 9, 86 (2018).
Shamblin J., Tracy C.L., Palomares R.I., O'Quinn E.C., Ewing R.C., Neuefeind J., Feygenson M., Behrens J., Trautmann C., Lang M., "Similar local order in disordered fluorite and aperiodic pyrochlore structures", Acta Materialia, 144, 60-67 (2018).
Shan X., "Manganese Oxide Based Electrode Materials for Aqueous Sodiumion Electrochemical Energy Storage", Ph.D. Dissertation, University of New Hampshire (2018).
Shanbogh P.P., Raghunathan R., Swain D., Feygenson M., Neuefeind J., Plaisier J.R., Narayana C., Rao A., Sundaram N.G., "Impact of Average, Local and Electronic Structure on Visible Light Photocatalysis in Novel BiREWO6 (RE = Eu & Tb) Nanomaterials", ACS Applied Materials & Interfaces, 10, 42, 35876–35887 (2018).
Shang H., Zuo Z., Zheng H., Li K., Tu Z., Yi Y., Liu H., Li Y.Q., Li Y., "N-doped Graphdiyne for High-Performance Electrochemical Electrodes", Nano Energy, 44, 144-154 (2018).
Shelyug A., Palomares R.I., Lang M., Navrotsky A., "Energetics of defect production in fluorite-structured CeO2 induced by highly ionizing radiation", Physical Review Materials , 2, 9, 093607 (2018).
Shi T., Xiao P., Kwon D.H., Gautam G.S., Chakarawet K., Kim H., Bo S.H., Ceder G., "Shear-Assisted Formation of Cation-Disordered Rocksalt NaMO2 (M = Fe, Mn)", Chemistry of Materials, 30, 24, 8811-8821 (2018).
Shi Y., Lonnroth N.T., Youngman R.E., Rzoska S.J., Bockowski M., Smedskjaer M.M., "Pressure-induced structural changes in titanophosphate glasses studied by neutron and X-ray total scattering analyses", Journal of Non-Crystalline Solids, 483, 50-59 (2018).
Sullivan V., "2018 LDRD Annual Report", Argonne National Laboratory ANL-20/43 (2018).
Szlezak J., Kelly J., Ingram A., Shpotyuk Y., Adamiak S., Dziedzic A., Cebulski J., Golovchak R., "Role of Bi and Ga additives in the physical properties and structure of GeSe4-GeTe4 glasses", Materials Characterization, 142, 50-58 (2018).
Taddei K.M., Xing G., Sun J., Fu Y., Li Y., Zheng Q., Sefat A.S., Singh D.J., dela Cruz C., "Frustrated Structural Instability in Superconducting Quasi-One-Dimensional K2Cr3As3", Physical Review Letters, 121, 18, 187002 (2018).
Trump B.A., Koohpayeh S.M., Livi K.J., Wen J.J., Arpino K.E., Ramasse Q.M., Brydson R., Feygenson M., Takeda H., Takigawa M., Kimura K., Nakatsuji S., Broholm C., McQueen T.M., "Universal geometric frustration in pyrochlores", Nature Communications, 9, 2619 (2018).
Ushakov S.V., Maram P.S., Kapush D., Pavlik A.J., Fyhrie M., Gallington L.C., Benmore C.J., Weber R.J., Neuefeind J., McMurray J.W., Navrotsky A., "Phase transformations in oxides above 2000°C: experimental technique development", Advances in Applied Ceramics, 117, S1, 82-89 (2018).
Usher T.M., Forrester J.S., McDonnell M.T., Neuefeind J., Page K., Peterson P.F., Levin I., Jones J.L., "Time-of-flight neutron total scattering with applied electric fields: Ex situ and in situ studies of ferroelectric materials", Review of Scientific Instruments, 89, 9, 092905 (2018).
Usher T.M., Olds D., Liu J., Page K., "A numerical method for deriving shape functions of nanoparticles for pair distribution function refinements", Acta Crystallographica Section A, 74, 4, 322-331 (2018).
Wallace M.K., LaBarre P.G., Li J., Pi S.T., Pickett W.E., Dessau D.S., Haskel D., Ramirez A.P., Subramanian M.A., "Local Moment Instability of Os in Honeycomb Li2.15Os0.85O3", Scientific Reports, 8, 1, 6605 (2018).
Wang H.W., Vlcek L., Neuefeind J., Page K., Irle S., Simonson J.M., Stack A.G., "Decoding Oxyanion Aqueous Solvation Structure: A Potassium-Nitrate Example at Saturation", Journal of Physical Chemistry B, 122, 30, 7584-7589 (2018).
Wang J., Dolyniuk J.A., Kovnir K., "Unconventional Clathrates with Transition Metal–Phosphorus Frameworks", Accounts of Chemical Research, 5f, 1, 31–39 (2018).
Weaver J., Soderquist C., Washton N.M., Gassman P., Walter E.J., Bowden M.E., Lukens W.W., McCloy J.S., "Challenges and Solutions for Handling and Characterizing Alkali-Tc-Oxide Salts", MRS Advances, 3, 21, 1191-1200 (2018).
White C.E., Garg N., Olds D., Vocaturo J., Everett S.M., Page K., "A uniaxial load frame for in situ neutron studies of stress-induced changes in cementitious materials and related systems", Review of Scientific Instruments, 89, 9, 092903 (2018).
Wu Z., Lan S., Wei X., Olds D., Page K., Shen B., Wang X.L., "Heterogeneous nucleation in Zr-Cu-Al-Ag metallic glasses triggered by quenched-in metastable crystals - A time-resolved neutron diffraction study", Physica B: Condensed Matter, 551, 60-63 (2018).
Yin L., Mattei G.S., Li Z.Y., Zheng J., Zhao W., Omenya F., Fang C., Li W., Li J., Xie Q., Zhang J.G., Whittingham M.S., Meng Y.S., Manthiram A., Khalifah P.G., "Extending the limits of powder diffraction analysis: Diffraction parameter space, occupancy defects, and atomic form factors", Review of Scientific Instruments, 89, 9, 093002 (2018).
Zheng J., Tan G., Shan P., Liu T., Hu J., Feng Y., Yang L., Zhang M., Chen Z., Lin Y., Lu J., Neuefeind J., Ren Y., Amine K., Wang L.W., Xu K., Pan F., "Understanding Thermodynamic and Kinetic Contributions in Expanding the Stability Window of Aqueous Electrolytes", Chem, 4, 12, 2872-2882 (2018).
Zhu H., Yang C., Li Q., Ren Y., Neuefeind J., Gu L., Liu H., Fan L., Chen J., Deng J., Wang N., Hong J., Xing X., "Charge transfer drives anomalous phase transition in ceria", Nature Communications, 9, 5063 (2018).
2017 54 Publications
Athauda A., "The Role of Nanoscale Atomic Fluctuations in the Superconducting Mechanism of the BiS2 Superconductors", Ph.D. Dissertation, University of Virginia (2017).
Athauda A., Mizuguchi Y., Nagao M., Neuefeind J., Louca D.A., "Charge Fluctuations in the NdO1−xFxBiS2 Superconductors", Journal of the Physical Society of Japan, 86, 12, 124718 (2017).
Bhat S.M., Swain D., Feygenson M., Neuefeind J., Mishra A.K., Hodala J.L., Narayana C., Shanbhag G.V., Sundaram N.G., "Bi4TaO8Cl Nano-Photocatalyst: Influence of Local, Average, and Band Structure", Inorganic Chemistry, 56, 10, 5525–5536 (2017).
Charles D.S., Feygenson M., Page K., Neuefeind J., Xu W., Teng X., "Structural water engaged disordered vanadium oxide nanosheets for high capacity aqueous potassium-ion storage", Nature Communications, 8, 15520 (2017).
Chen D.P., Neuefeind J., Koczkur K.M., Bish D.L., Skrabalak S.E., "Role of Short-Range Chemical Ordering in (GaN)1–x(ZnO)x for Photodriven Oxygen Evolution", Chemistry of Materials, 29, 15, 6525–6535 (2017).
Chen Y., Cheng Y.Q., Li J.C., Feygenson M., Heller W.T., Liang C., An K., "Lattice-Cell Orientation Disorder in Complex Spinel Oxides", Advanced Energy Materials, 7, 4, 1601950 (2017).
Colabello D.M., Sobalvarro E.M., Sheckelton J.P., Neuefeind J., McQueen T.M., Khalifah P.G., "Observation of Vacancies, Faults, and Superstructures in Ln5Mo2O12 (Ln = La, Y, and Lu) Compounds with Direct Mo–Mo Bonding", Inorganic Chemistry, 56, 21, 12866–12880 (2017).
Colas B., "Structural constraints on the crystallisation of Amorphous Calcium Carbonate", Ph.D. Dissertation, Macquarie University (2017).
Datta K., Neder R.B., Chen J., Neuefeind J., Mihailova B., "Atomic-level structural correlations across the morphotropic phase boundary of a ferroelectric solid solution: xBiMg1/2Ti1/2O3-(1 − x)PbTiO3", Scientific Reports, 7, 1, 471 (2017).
Datta K., Neder R.B., Chen J., Neuefeind J., Mihailova B., "Favorable Concurrence of Static and Dynamic Phenomena at the Morphotropic Phase Boundary of xBiNi0.5Zr0.5O3−(1−x)PbTiO3", Physical Review Letters, 119, 207604 (2017).
Diao H., "Experimental and Computational Investigation of High-entropy Alloys for Elevated Temperature Applications", University of Tennessee (2017).
Dolyniuk J.A., Whitfield P., Lee K., Lebedev O.I., Kovnir K., "Controlling superstructural ordering in the clathrate-I Ba8M16P30 (M = Cu, Zn) through the formation of metal–metal bonds", Chemical Science, 8, 5, 3650-3659 (2017).
Einhorn J.R., "A Survey and Comparison of Methods for Quantitative Texture Analysis", Master's Thesis, University of Virginia (2017).
Fabini D.H., Siaw T.A., Stoumpos C.C., Laurita G., Olds D., Page K., Hu J., Kanatzidis M.G., Han S., Seshadri R., "Universal Dynamics of Molecular Reorientation in Hybrid Lead Iodide Perovskites", Journal of the American Chemical Society, 139, 46, 16875–16884 (2017).
Frandsen B.A., Ross K.A., Krizan J.W., Nilsen G.J., Wildes A.R., Cava R.J., Birgeneau R.J., Billinge S.J., "Real-space investigation of short-range magnetic correlations in fluoride pyrochlores NaCaCo 2 F 7 and NaSrCo 2 F 7 with magnetic pair distribution function analysis", Physical Review Materials , 1, 7, 074412 (2017).
Frandsen B.A., Taddei K.M., Yi M., Frano A., Guguchia Z., Yu R., Si Q., Bugaris D.E., Stadel R., Osborn R., Rosenkranz S., Chmaissem O., Birgeneau R.J., "Local orthorhombicity in the magnetic C4 phase of the hole-doped iron-arsenide superconductor Sr1−xNaxFe2As2", Physical Review Letters, 119, 187001 (2017).
Gallington L.C., Ghadar Y., Skinner L.B., Weber R.J., Ushakov S.V., Navrotsky A., Vazquez-Mayagoitia A., Neuefeind J., Stan M., Low J., Benmore C.J., "The Structure of Liquid and Amorphous Hafnia", Materials, 10, 11, 1290 (2017).
Hillis B., Losey B.P., Weng J., Ghaleb N., Hou F., Martin J.D., "From Rate Measurements to Mechanistic Data for Condensed Matter Reactions: A Case Study Using the Crystallization of [Zn(OH2)6][ZnCl4]", Crystals, 7, 1, 11 (2017).
Huang H., Sklute E.C., Lehuta K.A., Kittilstved K.R., Glotch T.D., Liu M., Khalifah P.G., "Influence of Thermal Annealing on Free Carrier Concentration in (GaN)1-x(ZnO)x Semiconductors", Journal of Physical Chemistry C, 131, 42, 23249–23258 (2017).
Johnson M.L., Gibbons P.C., Vogt A.J., Kelton K.F., "Metastable phase selection from undercooled Zr77Rh23 liquid alloys", Journal of Alloys and Compounds, 725, 1217-1222 (2017).
Lamontagne L., Laurita G., Knight M., Yusuf H., Hu J., Seshadri R., Page K., "The Role of Structural and Compositional Heterogeneities in the Insulator-to-Metal Transition in Hole-Doped APd3O4 (A = Ca, Sr)", Inorganic Chemistry, 56, 9, 5158–5164 (2017).
Li H., Aulin Y.V., Frazer L., Borguet E., Kakodkar R., Feser J., Chen Y., An K., Dikin D.A., Ren F., "Structure Evolution and Thermoelectric Properties of Carbonized Polydopamine Thin Films", ACS Applied Materials & Interfaces, 9, 8, 6655-6660 (2017).
Li Z., Bommier C., Chong Z.S., Jian Z., Surta T.W., Wang X., Xing Z., Neuefeind J., Stickle W.F., Dolgos M., Greaney P.A., Ji X., "Mechanism of Na-Ion Storage in Hard Carbon Anodes Revealed by Heteroatom Doping", Advanced Energy Materials, 7, 18, 1602894 (2017).
Li Z., Zhao S., Diao H., Liaw P.K., Meyers M.A., "High-velocity deformation of Al0.3CoCrFeNi high-entropy alloy: Remarkable resistance to shear failure", Scientific Reports, 7, 42742 (2017).
Liu J., Olds D., Peng R., Yu L., Foo G.S., Qian S., Keum J.K., Guiton B.S., Wu Z., Page K., "Quantitative analysis of the morphology of {101} and {001} faceted anatase TiO2 nanocrystals and its implication on photocatalytic activity", Chemistry of Materials, 29, 13, 5591–5604 (2017).
Liu J., Whitfield P., Saccomanno M.R., Bo S.H., Hu E., Yu X., Bai J., Grey C.P., Yang X.Q., Khalifah P.G., "In situ Neutron Diffraction Studies of Ion Exchange Synthesis Mechanism of Li2Mg2P3O9N: Evidence for Hidden Phase Transition", Journal of the American Chemical Society, 139, 27, 9192–9202 (2017).
McNutt N.W., McDonnell M.T., Rios O., Keffer D.J., "Li-ion Localization and Energetics as a Function of Anode Structure", ACS Applied Materials & Interfaces, 9, 8, 6988-7002 (2017).
McNutt N.W., Rios O., Maroulas V., Keffer D.J., "Interfacial Li-ion localization in hierarchical carbon anodes", Carbon, 111, 828–834 (2017).
Metz P., "Total Scattering Analysis of Disordered Nanosheet Materials", Master's Thesis, Alfred University (2017).
Muckley E.S., Naguib M., Wang H.W., Vlcek L., Osti N.C., Sacci R.L., Sang X., Unocic R.R., Xie Y., Tyagi M., Mamontov E., Page K., Kent P.R., Nanda J., Ivanov I., "Multimodality of Structural, Electrical, and Gravimetric Responses of Intercalated MXenes to Water", ACS Nano, 11, 11, 11118–11126 (2017).
O'Quinn E.C., Shamblin J., Perlov B.A., Ewing R.C., Neuefeind J., Feygenson M., Gussev I., Lang M., "Inversion in Mg1-xNixAl2O4 Spinel: New Insight into Local Structure", Journal of the American Chemical Society, 139, 30, 10395–10402 (2017).
Olds D., Page K., Paecklar A., Peterson P.F., Liu J., Rucker G., Ruiz-Rodriguez M., Olsen M., Pawel M., Overbury S.H., Neilson J.R., "A high precision gas flow cell for performing in situ neutron studies of local atomic structure in catalytic materials", Review of Scientific Instruments, 88, 3, 034101 (2017).
Olds D., Peterson P.F., Crawford M.K., Neilson J.R., Wang H.W., Whitfield P., Page K., "Combinatorial appraisal of transition states for in situ pair distribution function analysis", Journal of Applied Crystallography, 50, 6, 1744-1753 (2017).
Palomares R.I., Shamblin J., Tracy C.L., Neuefeind J., Ewing R.C., Trautmann C., Lang M., "Defect accumulation in swift heavy ion-irradiated CeO2 and ThO2", Journal of Materials Chemistry A, 5, 24, 12193-12201 (2017).
Palomares R.I., Tracy C.L., Neuefeind J., Ewing R.C., Trautmann C., Lang M., "Thermal defect annealing of swift heavy ion irradiated ThO2", Nuclear Instruments and Methods in Physics Research Section B, 405, 15-21 (2017).
Paterson A.R., "Crystal chemistry and properties of bismuth-modified complex oxide perovskites", Ph.D. Dissertation, Simon Fraser University (2017).
Perticaroli S., Mostofian B., Ehlers G., Neuefeind J., Diallo S.O., Stanley C.B., Daemen L.L., Egami T., Katsaras J., Cheng X., Nickels J.D., "Structural Relaxation, Viscosity, and Network Connectivity in a Hydrogen Bonding Liquid", Physical Chemistry Chemical Physics, 19, 38, 25859-25869 (2017).
Pracheil B.M., Chakoumakos B.C., Feygenson M., Whitledge G.W., Koenings R.P., Bruch R.M., "Sturgeon and paddlefish (Acipenseridae) saggital otoliths are composed of the calcium carbonate polymorphs vaterite and calcite", Journal of Fish Biology, 90, 2, 549–558 (2017).
Quirinale D.G., "Structural and magnetic properties of metastable phases and undercooled liquids in Fe83B17", Ph.D. Dissertation, Iowa State University (2017).
Rao J.C., Diao H., Ocelík V., Vainchtein D., Zhang C., Kuo C., Tang Z., Guo W.T., Poplawsky J., Zhou Y., Liaw P.K., De Hosson J.T., "Secondary phases in AlxCoCrFeNi high-entropy alloys: An in-situ TEM heating study and thermodynamic appraisal", Acta Materialia, 131, 206–220 (2017).
Rugen E.E., "Synthesis and Characterization of LaTiO2N", Master's Thesis, Indiana University (2017).
Shamblin J., Dun Z.L., Lee M., Johnston S., Choi E.S., Page K., Qiu Y., Zhou H.D., "Structural and magnetic short-range order in fluorite Yb2TiO5", Physical Review B, 96, 17, 174418 (2017).
Shan X., Charles D.S., Xu W., Feygenson M., Su D., Teng X., "Biphase Cobalt–Manganese Oxide with High Capacity and Rate Performance for Aqueous Sodium-Ion Electrochemical Energy Storage", Advanced Functional Materials, 28, 1703266 (2017).
Wang H.W., Daemen L.L., Cheshire M.C., Kidder M.K., Stack A.G., Allard L.F., Neuefeind J., Olds D., Liu J., Page K., "Synthesis and structure of synthetically pure and deuterated amorphous (basic) calcium carbonates", Chemical Communications, 53, 20, 2942-2945 (2017).
Wang J., Lebedev O.I., Lee K., Dolyniuk J.A., Klavins P., Bux S., Kovnir K., "High-efficiency thermoelectric Ba8Cu14Ge6P26: bridging the gap between tetrel-based and tetrel-free clathrates", Chemical Science, 8, 12, 8030-8038 (2017).
Wang R., Gebretsadik A.S., Ubaid-Kassis S., Schroeder A., Vojta T., Baker P.J., Pratt F.L., Blundell S.J., Lancaster T., Franke-Chaudet I., Moller J.S., Page K., "Quantum Griffiths Phase Inside the Ferromagnetic Phase of Ni 1 − x V x", Physical Review Letters, 118, 26, 267202 (2017).
Weaver J., Soderquist C., Gassman P., Walter E.J., Lukens W.W., McCloy J.S., "Synthesis and Characterization of 5- and 6- Coordinated Alkali Pertechnetates", MRS Advances, 2, 10, 525-542 (2017).
Weaver J., Soderquist C., Washton N.M., Lipton A.S., Gassman P., Lukens W.W., Kruger A.A., Wall N.A., McCloy J.S., "Chemical Trends in Solid Alkali Pertechnetates", Inorganic Chemistry, 56, 5, 2533-2544 (2017).
Xing Z., Qi Y., Tian Z., Xu J., Yuan Y., Bommier C., Lu J., Tong W., Jiang D., Ji X., "Identify the Removable Substructure in Carbon Activation", Chemistry of Materials, 29, 17, 7288–7295 (2017).
Yang H., Yu D., Chen Y., Mu J., Wang Y.D., An K., "In-situ TOF neutron diffraction studies of cyclic softening in superelasticity of a NiFeGaCo shape memory alloy", Materials Science and Engineering A, 680, 324-328 (2017).
Zhang F.X., Zhao S., Jin K., Bei H., Popov D., Park C., Neuefeind J., Weber W., Zhang Y., "Pressure-induced fcc to hcp phase transition in Ni-based high entropy solid solution alloys", Applied Physics Letters, 110, 1, 011902 (2017).
Zhang F.X., Zhao S., Jin K., Xue H., Velisa G., Bei H., Huang R., Ko J.Y., Pagan D.C., Neuefeind J., Weber W., Zhang Y., "Local Structure and Short-Range Order in a NiCoCr Solid Solution Alloy", Physical Review Letters, 118, 20, 205501 (2017).
Zheng H., Wang L., Li K., Yang Y., Wang Y., Wu J., Dong X., Wang C.H., Tulk C.A., Molaison J.J., Ivanov I., Feygenson M., Yang W., Guthrie M., Zhao Y., Mao H., Jin C.Q., "Pressure induced polymerization of acetylide anions in CaC2 and 10^7 folds enhancement of electrical conductivity", Chemical Science, 8, 1, 298-304 (2017).
Zhou S., Howard E.S., Liu J., Bashian N.H., Nolan K., Krishnamoothy S., Rangel G.M., Sougrati M.T., Prakash G.K., Page K., Melot B.C., "Hydrothermal Preparation, Crystal Chemistry, and Redox Properties of Iron Muscovite Clay", ACS Applied Materials & Interfaces, 9, 39, 34024–34032 (2017).
2016 48 Publications
Attfield M., Feygenson M., Neuefeind J., Proffen T., Hriljac J.A., Lucas T.C., "Reprobing the mechanism of negative thermal expansion in siliceous faujasite", RSC Advances, 6, 24, 19903-19909 (2016).
Benmore C.J., Mou Q., Benmore K.J., Robinson D.S., Neuefeind J., Ilavsky J., Byrn S.R., Yarger J.L., "A SAXS-WAXS study of the endothermic transitions in amorphous or supercooled liquid itraconazole", Thermochimica Acta, 644, 1-5 (2016).
Bennett S.P., Feygenson M., Jiang Y., Zande B.J., Zhang X., Sankar S.G., Wang J.P., Lauter V.V., "Phase Concentration Determination of Fe16N2 Using State of the Art Neutron Scattering Techniques", Journal of the Minerals, Metals, & Materials Society, 68, 6, 1572–1576 (2016).
Bousige C., Ghimbeu C.M., Vix-Guterl C., Pomerantz A.E., Suleimenova A., Vaughan G., Garbarino G., Feygenson M., Wildgruber C., Ulm F.J., Pellenq R.J., Coasne B., "Realistic molecular model of kerogen’s nanostructure", Nature Materials, 15, 576-582 (2016).
Cao B., Khalifah P.G., "Metal Nitride Catalysts for Promoting a Hydrogen Evolution Reaction", (2016).
Chakoumakos B.C., Pracheil B.M., Koenigs R.P., Bruch R.M., Feygenson M., "Empirically testing vaterite structural models using neutron diffraction and thermal analysis", Scientific Reports, 6, 36799 (2016).
Fabini D.H., Laurita G., Bechtel J.S., Stoumpos C.C., Evans H.A., Kontos A.G., Raptis Y.S., Falaras P., Van der Ven A., Kanatzidis M.G., Seshadri R., "Dynamic Stereochemical Activity of the Sn2+ Lone Pair in Perovskite CsSnBr3", Journal of the American Chemical Society, 138, 36, 11820-11832 (2016).
Frandsen B.A., "Quantum phase transitions and local magnetism in Mott insulators: A local probe investigation using muons, neutrons, and photons", Ph.D. Dissertation, Columbia University (2016).
Frandsen B.A., Gong Z., Terban M.W., Banerjee S., Chen B., Jin C.Q., Feygenson M., Uemura Y.J., Billinge S.J., "Local atomic and magnetic structure of dilute magnetic semiconductor (Ba,K)(Zn,Mn)2As2", Physical Review B, 94, 9, 094102 (2016).
Frandsen B.A., Liu L., Cheung S.C., Guguchia Z., Khasanov R., Morenzoni E., Munsie T.J., Hallas A.M., Wilson M.N., Cai Y., Luke G.M., Chen B., Li W., Jin C.Q., Ding C., Guo S., Ning F.L., Ito T.U., Billinge S.J., Sakamoto S., Fujimori A., et al. ., "Volume-wise destruction of the antiferromagnetic Mott insulating state through quantum tuning", Nature Communications, 7, 12519 (2016).
Hartl M., Gillis R.C., Daemen L.L., Olds D., Page K., Carlson S., Cheng Y.Q., Huegle T., Iverson E.B., Ramirez-Cuesta A.J., Lee Y., Muhrer G., "Hydrogen adsorption on two catalysts for the ortho- to parahydrogen conversion: Cr-doped silica and ferric oxide gel", Physical Chemistry Chemical Physics, 18, 26, 17281-17293 (2016).
Hermus M., Mansouri Tehrani A., Brgoch J., "Determining a Structural Distortion and Anion Ordering in La2Si4N6C via Computation and Experiment", Inorganic Chemistry, 55, 18, 9454–9460 (2016).
Johnson M.L., Blodgett M.E., Lokshin K.A., Mauro N.A., Neuefeind J., Pueblo C., Quirinale D.G., Vogt A.J., Egami T., Goldman A.I., Kelton K.F., "Measurements of structural and chemical order in Zr80Pt20 and Zr77Rh23 liquids", Physical Review B, 93, 5, 054203 (2016).
Kassem M., Sokolov A.P., Cuisset A., Usuki T., Khaoulani S., Masselin P., Le Coq D., Neuefeind J., Feygenson M., Hannon A.C., Benmore C.J., Bychkov E., "Mercury Sulfide Dimorphism in Thioarsenate Glasses", Journal of Physical Chemistry B, 120, 23, 5278–5290 (2016).
Kelly Z.A., Gallagher M.J., McQueen T.M., "Electron Doping a Kagome Spin Liquid", Physical Review X, 6, 041007 (2016).
Laurita G., Grajczyk R., Stolt M., Coutinho I., Sleight A.W., Subramanian M.A., "Influence of Structural Disorder on Hollandites AxRu4O8 (A+ = K, Rb, Rb1–xNax)", Inorganic Chemistry, 55, 7, 3462-3467 (2016).
Li B., Louca D.A., Feygenson M., Brown C.M., Copley J.R., Iida K., "Local Jahn-Teller distortions and orbital ordering in Ba3Cu1+xSb2−xO9 investigated by neutron scattering", Physical Review B, 93, 1, 014423 (2016).
Li B., Louca D.A., Yano S., Marshall L.G., Zhou J.S., Goodenough J.B., "Insulating Pockets in Metallic LaNiO3", Advanced Electronic Materials, 2, 2, 1500261 (2016).
Li Z., Ma L., Surta T.W., Bommier C., Jian Z., Xing Z., Stickle W.F., Dolgos M., Amine K., Lu J., Wu T., Ji X., "High Capacity of Hard Carbon Anode in Na-Ion Batteries Unlocked by POx Doping", ACS Energy Letters, 1, 395–401 (2016).
Mao A.W., "Structure and Properties of Modified and Charge-Compensated Chalcogenide Glasses in the Na/Ba-Ga-Ge Selenide System", Ph.D. Dissertation, University of California Davis (2016).
Mauro N.A., Vogt A.J., Derendorf K.S., Johnson M.L., Rustan G.E., Quirinale D.G., Kreyssig A., Lokshin K.A., Neuefeind J., An K., Wang X.L., Goldman A.I., Egami T., Kelton K.F., "Electrostatic levitation facility optimized for neutron diffraction studies of high temperature liquids at a spallation neutron source", Review of Scientific Instruments, 87, 1, 013904 (2016).
McNut N.W., "Lignin-based Li-Ion Anode Materials Synthesizedfrom Low-Cost Renewable Resources", Ph.D. Dissertation, University of Tennessee (2016).
Metz P., Koch R., Cladek B., Page K., Neuefeind J., Misture S.T., "X-ray and neutron total scattering analysis of Hy·(Bi0.2Ca0.55Sr0.25)(Ag0.25Na0.75)Nb3O10·xH2O perovskite nanosheet booklets with stacking disorder", Powder Diffraction, 31, 2, 126 (2016).
Natali M.E., White C.E., Bignozzi M.C., "Elucidating the atomic structures of different sources of fly ash using X-ray and neutron PDF analysis", Fuel, 177, 148-156 (2016).
Odoh S.O., Shamblin J., Colla C.A., Hickam S., Lobeck H.L., Lopez R.A., Olds T., Szymanowski J.E., Sigmon G.E., Neuefeind J., Casey W.H., Lang M., Gagliardi L., Burns P.C., "Structure and Reactivity of X-ray Amorphous Uranyl Peroxide, U2O7", Inorganic Chemistry, 55, 7, 3541-3546 (2016).
Oyedele A., McNutt N.W., Rios O., Keffer D.J., "Hierarchical Model for the Analysis of Scattering Data of Complex Materials", JOM, 68, 6, 1583-1588 (2016).
Page K., Siewenie J., Quadrelli P., Malavasi L., "Short-range Order of Methylammonium and Persistence of Distortion at the Local Scale in MAPbBr3 Hybrid Perovskite", Angewandte Chemie International Edition, 128, 46, 14532–14536 (2016).
Reig-i-Plessis D., Casavant D., Garlea V.O., Aczel A.A., Feygenson M., Neuefeind J., Zhou H.D., Nagler S.E., MacDougall G.J., "Structural transition and orbital glass physics in near-itinerant CoV2O4", Physical Review B, 93, 014437 (2016).
Santodonato L., "Temperature-Dependent Structures and Atomic Mixing Behaviors in High-Entropy Alloys", Ph.D. Dissertation, University of Tennessee (2016).
Sen S., Losey B.P., Gordon E.E., Argyropoulos D.S., Martin J.D., "Ionic Liquid Character of Zinc Chloride Hydrates Define Solvent Characteristics that Afford Solubility of Cellulose", Journal of Physical Chemistry B, 120, 6, 1134-1141 (2016).
Shamblin J., "Characterizing Local Order and Physical Properties of Rare Earth Complex Oxides", Ph.D. Dissertation, University of Tennessee (2016).
Shamblin J., Calder S., Dun Z.L., Lee M., Choi E.S., Neuefeind J., Zhou H.D., Lang M., "Crystal structure and partial Ising-like magnetic ordering of orthorhombic Dy2TiO5", Physical Review B, 94, 024413 (2016).
Shamblin J., Feygenson M., Neuefeind J., Tracy C.L., Zhang F.X., Finkeldei S., Bosbach D., Zhou H.D., Ewing R.C., Lang M., "Probing disorder in isometric pyrochlore and related complex oxides", Nature Materials, 15, 507-511 (2016).
Shan X., Charles D.S., Lei Y., Qiao R., Wang G., Yang W., Feygenson M., Su D., Teng X., "Bivalence Mn5O8 with hydroxylated interphase for high-voltage aqueous sodium-ion storage", Nature Communications, 7, 13370 (2016).
Usher T.M., "Local and Average Structures in Ferroelectrics under Perturbing Fields", Ph.D. Dissertation, North Carolina State University (2016).
Wang H.W., Naguib M., Page K., Wesolowski D.J., Gogotsi Y., "Resolving the Structure of Ti3C2Tx MXenes through Multi-Level Structural Modeling of the Atomic Pair Distribution Function", Chemistry of Materials, 28, 1, 349–359 (2016).
White C.E., "Effects of temperature on the atomic structure of synthetic calcium–silicate–deuterate gels: A neutron pair distribution function investigation", Cement and Concrete Research, 79, 93–100 (2016).
Whitfield P., Herron N., Guise W.E., Page K., Cheng Y.Q., Milas I., Crawford M.K., "Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide", Scientific Reports, 6, 35685 (2016).
Xu Y., Feygenson M., Page K., Nickles L.S., Brinkman K.S., "Structural Evolution in Hollandite Solid Solutions Across the A-site Compositional Range from Ba1.33Ga2.66Ti5.34O16 to Cs1.33Ga1.33Ti6.67O16", Journal of the American Ceramic Society, 99, 12, 4100-4106 (2016).
Xu Z., Schneeloch J.A., Wen J., Bozin E.S., Granroth G.E., Winn B.L., Feygenson M., Birgeneau R.J., Gu G., Zaliznyak I.A., Tranquada J.M., Xu G., "Thermal evolution of antiferromagnetic correlations and tetrahedral bond angles in superconducting FeTe1−xSex", Physical Review B, 93, 104517 (2016).
Yang H., "In-situ Neutron Diffraction Studies on Phase Transformation and Functional Behaviors of Ni(Mn)-Fe-Ga Ferromagnetic Shape Memory Alloys", Ph.D. Dissertation, Northeastern University China (2016).
Yang J., Duan C., Huang Q.Z., Brown C.M., Neuefeind J., Louca D.A., "Strong correlations between vacancy and magnetic ordering in superconducting K0.8Fe2−ySe2", Physical Review B, 94, 2, 024503 (2016).
Yang K., Cai Z., Tyagi M., Feygenson M., Neuefeind J., Moore J.S., Zhang Y., "Odd-even Structural Sensitivity on Dynamics in Network-forming Ionic Liquids", Chemistry of Materials, 28 , 9, 3227–3233 (2016).
Yano S., Louca D.A., Yang J., Chatterjee U., Bugaris D.E., Chung D.Y., Peng L., Grayson M., Kanatzidis M.G., "Magnetic structure of NiS2−xSex", Physical Review B, 93, 2, 024409 (2016).
Zhang Y., "Study of Li-Mg Alloys and Si Powder Anodes for Li-ion Batteries: Experiments, Neutron Imaging and Modeling", Ph.D. Dissertation, University of Utah (2016).
Zheng H., Li K., Cody G.D., Tulk C.A., Dong X., Gao G., Molaison J.J., Liu Z., Feygenson M., Yang W., Ivanov I., Basile L., Idrobo J.C., Guthrie M., Mao H., "Polymerization of Acetonitrile via a Hydrogen Transfer Reaction from CH3 to CN under Extreme Conditions", Angewandte Chemie International Edition, 55, 39, 12040-12044 (2016).
Zhou S., Barim G., Morgan B.J., Melot B.C., Brutchey R.L., "Influence of Rotational Distortions on Li+- and Na+-Intercalation in Anti-NASICON Fe2(MoO4)3", Chemistry of Materials, 28, 12, 4492–4500 (2016).
Zhu J., Wang Y., Li S., Howard J.W., Neuefeind J., Ren Y., Wang H., Liang C., Yang W., Zou R., Jin C.Q., Zhao Y., "Sodium Ion Transport Mechanisms in Antiperovskite Electrolytes Na3OBr and Na4OI2: An in Situ Neutron Diffraction Study", Inorganic Chemistry, 55, 12, 5993–5998 (2016).
2015 40 Publications
Adipranoto D.S., Yonemura M., Ishikawa Y., Hoshikawa A., Ishigaki T., Kamiyama T., Uchimoto Y., Ogumi Z., "Crystal-Local Structure Analyses for Cathode LIBs LiNi1−xCoxO2 (0 ≤ x ≤ 1) by Neutron Diffraction", JPS Conference Proceedings, 8, 031017 (2015).
Athauda A., Yang J., Lee S.H., Mizuguchi Y., Deguchi K., Takano Y., Miura O., Louca D.A., "In-plane charge fluctuations in bismuth-sulfide superconductors", Physical Review B, 91, 14, 144112 (2015).
Athauda A., Yang J., Li B., Mizuguchi Y., Lee S.H., Louca D.A., "The Crystal Structure of Superconducting LaO1-x F x BiS2", Journal of Superconductivity and Novel Magnetism, 28, 1255 (2015).
Blodgett M.E., "Thermophysical Properties and Structural Evolution of Supercooled Metallic Liquids", Ph.D. Dissertation, Washington University in St Louis (2015).
Bommier C., Surta T.W., Dolgos M., Ji X., "New Mechanistic Insights on Na-Ion Storage in Nongraphitizable Carbon", Nano Letters, 15, 9, 5888–5892 (2015).
Calder S., Lee J.H., Stone M.B., Lumsden M.D., Lang J.C., Feygenson M., Zhao Z.Y., Yan J.Q., Shi Y., Sun Y.S., Tsujimoto Y., Yamaura K., Christianson A.D., "Enhanced spin-phonon-electronic coupling in a 5d oxide", Nature Communications, 6, 8916 (2015).
Cao B., Neuefeind J., Adzic R.R., Khalifah P.G., "Molybdenum Nitrides as Oxygen Reduction Reaction Catalysts: Structural and Electrochemical Studies", Inorganic Chemistry, 54, 5, 2128-2136 (2015).
Colabello D.M., "Understanding Direct Metal-Metal Bonding in Rare Earth Molybdates", Ph.D. Dissertation, State University of New York at Stony Brook (2015).
Cottingham P., "Nano-Scale Charge Separation in PdTeI and Perovskite Photovoltaic Devices Observed by Crystallography and Temperature-Dependent Photocurrent Spectroscopy", Ph.D. Dissertation, Johns Hopkins University (2015).
Deepak F.L., Banobre-Lopez M., Carbo-Argibay E., Cerqueira M.F., Pineiro-Redondo Y., Rivas J., Thompson C.M., Kamali S., Rodriguez-Abreu C., Kovnir K., Kolenko Y.V., "A Systematic Study of the Structural and Magnetic Properties of Mn-, Co-, and Ni-Doped Colloidal Magnetite Nanoparticles", Journal of Physical Chemistry C, 119, 21, 11947-11957 (2015).
Denault K.A., "Phosphors for solid-state lighting: New systems, deeper understanding", Ph.D. Dissertation, University of California Santa Barbara (2015).
Feygenson M., Formo E.V., Freeman K., Schieber N., Gai Z., Rondinone A.J., "Implications of Room Temperature Oxidation on Crystal Structure and Exchange Bias Effect in Co/CoO Nanoparticles", Journal of Physical Chemistry C, 119, 46, 26219–26228 (2015).
Feygenson M., Neuefeind J., Tyson T.A., Schieber N., Han W., "Average and Local Crystal Structures of (Ga1–xZnx)(N1–xOx) Solid Solution Nanoparticles", Inorganic Chemistry, 54, 23, 11226–11235 (2015).
Fitzgibbons T.C., Guthrie M., Xu E.S., Crespi V.H., Davidowski S.K., Cody G.D., Alem N., Badding J.V., "Benzene-derived carbon nanothreads", Nature Materials, 14, 43-47 (2015).
Golovchak R., Lucas P., Oelgoetz J., Kovalskiy A., York-Winegar J., Saiyasombat C., Shpotyuk O., Feygenson M., Neuefeind J., Jain H., "Medium range order and structural relaxation in AsSe network glasses through FSDP analysis", Materials Chemistry and Physics, 153, 432-442 (2015).
Greenfield J.T., Kamali S., Lee K., Kovnir K., "A Solution for Solution-Produced b-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity", Chemistry of Materials, 27, 2, 588-596 (2015).
Hu S., "Corrosion-Resistant Transition Metal Oxides and Oxynitrides Evaluated as Potential Non-Noble Metal Electrocatalysts for the Oxygen Reduction Reaction", Ph.D. Dissertation, State University of New York at Stony Brook (2015).
Idemoto Y., Yamamoto R., Ishida N., Kitamura N., "Change in Local Structure of 0.4Li2MnO3-0.6LiMn1/3Ni1/3Co1/3O2 During First Discharge Process", Electrochimica Acta, 153, 399–408 (2015).
Jiao W., Wang X.L., Lan S., Pan S.P., Lu Z.P., "Propensity of bond exchange as a window into the mechanical properties of metallic glasses", Applied Physics Letters, 106, 061910, 6 (2015).
Johnson M.L., "Structural Evolution, Chemical Order, and Crystallization of Metallic Liquids and Glasses", Ph.D. Dissertation, Washington University in St Louis (2015).
Laurita G., Page K., Suzuki S., Seshadri R., "Average and local structure of the Pb-free ferroelectric perovskites (Sr,Sn)TiO3 and (Ba,Ca,Sn)TiO3", Physical Review B, 92, 21, 214109 (2015).
Lee K., Kaseman D.C., Sen S., Hung I., Gan Z., Gerke B., Pottgen R., Feygenson M., Neuefeind J., Lebedev O.I., Kovnir K., "Intricate short-range ordering and strongly anisotropic transport properties of Li1-xSn2+xAs2", Journal of the American Chemical Society, 137, 10, 3622-3630 (2015).
Li K., Zheng H., Hattori T., Sano-Furukawa A., Tulk C.A., Molaison J.J., Feygenson M., Ivanov I., Yang W., Mao H., "Synthesis, Structure, and Pressure-Induced Polymerization of Li3Fe(CN)6 Accompanied with Enhanced Conductivity", Inorganic Chemistry, 54, 23, 11276–11282 (2015).
Li K., Zheng H., Wang L., Tulk C.A., Molaison J.J., Feygenson M., Yang W., Guthrie M., Mao H., "K3Fe(CN)6 under External Pressure: Dimerization of CN- Coupled with Electron Transfer to Fe(III)", Journal of Physical Chemistry C, 119, 39, 22351–22356 (2015).
Liu J., "Nitrogen-containing CUBICON ceramics and their applications for rechargeable batteries", Ph.D. Dissertation, State University of New York at Stony Brook (2015).
Ma J., Bo S.H., Wu L., Zhu Y., Grey C.P., Khalifah P.G., "Ordered and Disordered Polymorphs of Na(Ni2/3sb1/3) O2: Honeycomb-Ordered Cathodes for Na-Ion Betteries", Chemistry of Materials, 27, 7, 2387-2399 (2015).
Mancini A., Malavasi L., "Recent advances in the application of total scattering methods to functional materials", Chemical Communications, 51, 16592-16604 (2015).
Miskowiec A., Kirkegaard M.C., Huq A., Mamontov E., Herwig K.W., Trowbridge L., Rondinone A.J., Anderson B., "Structural Phase Transitions and Water Dynamics in Uranyl Fluoride Hydrates", Journal of Physical Chemistry A, 119, 49, 11900-11910 (2015).
Nickels J.D., Cheng X., Mostofian B., Stanley C.B., Lindner B., Heberle F.A., Perticaroli S., Feygenson M., Egami T., Standaert R.F., Smith J.C., Myles D.A., Ohl M., Katsaras J., "Mechanical properties of nanoscopic lipid domains", Journal of the American Chemical Society, 137, 50, 15772–15780 (2015).
Nickels J.D., Perticaroli S., Ehlers G., Feygenson M., Sokolov A.P., "Rigidity of poly-l-glutamic acid scaffolds: Influence of secondary and supramolecular structure", Journal of Biomedical Materials Research Part A, 103, 9, 2909–2918 (2015).
Perlov B.A., "Disorder in Mg(1-x)Ni(x)Al(2)O4 Spinel and its Impact on the Response to Swift Heavy Ion Irradiation", Master's Thesis, University of Tennessee (2015).
Santodonato L., Zhang Y., Feygenson M., Parish C.M., Gao M.C., Weber R.J., Neuefeind J., Tang Z., Liaw P.K., "Deviation from high-entropy configurations in the atomic distributions of a multi-principal-element alloy", Nature Communications, 6, 5964 (2015).
Sheckelton J.P., Neilson J.R., McQueen T.M., "Electronic tunability of the frustrated triangular-lattice cluster magnet LiZn2−xMo3O8", Materials Horizons, 2, 1, 76-80 (2015).
Song J., Wang L., Lu Y., Liu J., Guo B., Xiao P., Lee J.J., Yang X.Q., Henkelman G., Goodenough J.B., "Removal of Interstitial H2O in Hexacyanometallates for a Superior Cathode of a Sodium-Ion Battery", Journal of the American Chemical Society, 137, 7, 2658-2664 (2015).
Swetha S.M., "Investigation of Smart Oxide Nano Materials for Photoluminescent and Photocatalytic Applications", Ph.D. Dissertation, Poornaprajna Institute of Scientific Research (2015).
Tamalonis A., Weber R.J., Neuefeind J., Carruth J., Skinner L.B., Alderman O.L., Benmore C.J., "Detector Collimators for the NOMAD Instrument at the Spallation Neutron Source
", Review of Scientific Instruments, 86, 9, 096105 (2015).
Ushakov S.V., Navrotsky A., Weber R.J., Neuefeind J., "Structure and Thermal Expansion of YSZ and La2Zr2O7 Above 1500°C from Neutron Diffraction on Levitated Samples", Journal of the American Ceramic Society, 98, 10, 3381–3388 (2015).
Wang S., Ge H., Sun S., Zhang J., Liu F., Wen X., Yu X., Wang L., Zhang Y., Xu H., Neuefeind J., Qin Z., Chen C., Jin C.Q., Li Y., He D., Zhao Y., "A New Molybdenum Nitride Catalyst with Rhombohedral MoS2 Structure for Hydrogenation Applications", Journal of the American Chemical Society, 137, 14, 4815-4822 (2015).
White C.E., Daemen L.L., Hartl M., Page K., "Intrinsic differences in atomic ordering of calcium (alumino)silicate hydrates in conventional and alkali-activated cements", Cement and Concrete Research, 67, 66-73 (2015).
Wilcox R.J., Losey B.P., Folmer J.C., Martin J.D., Zeller M., Sommer R., "Crystalline and Liquid Structure of Zinc Chloride Trihydrate: A Unique Ionic Liquid", Inorganic Chemistry, 54, 3, 1109-1119 (2015).
2014 26 Publications
Adipranoto D.S., Ishigaki T., Hoshikawa A., Iwase K., Yonemura M., Mori K., Kamiyama T., Morii Y., Hayashi M., "Neutron diffraction studies on structural effect for Ni-doping in LiCo1 − xNixO2", Solid State Ionics, 262, 92–97 (2014).
Beck F.R., Cheng Y.Q., Bi Z., Feygenson M., Bridges C.A., Moorhead-Rosenberg Z., Manthiram A., Goodenough J.B., Paranthaman M.P., Manivannan A., "Neutron Diffraction and Electrochemical Studies of Na0.79CoO2and Na0.79Co0.7Mn0.3O2 Cathodes for Sodium-Ion Batteries", Journal of Electroanalytical Chemistry, 161, 6, A1 (2014).
Bhat S.M., Swain D., Narayana C., Feygenson M., Neuefeind J., Sundaram N.G., "Polymorphism in photoluminescent KndW208: synthesis, neutron diffraction and Raman study", Crystal Growth and Design, 14, 2, 835-843 (2014).
Bo S.H., "Transition Metal Borates as Cathode Materials for Rechargeable Batteries", Ph.D. Dissertation, State University of New York at Stony Brook (2014).
Bo S.H., Nam K.W., Borkiewicz O.J., Hu Y., Yang X.Q., Chupas P.J., Chapman K.W., Wu L., Zhang L., Wang F., Grey C.P., Khalifah P.G., "Structures of Delithiated and Degraded LiFeBO3, and Their Distinct Changes upon Electrochemical Cycling", Inorganic Chemistry, 53, 13, 6585-6595 (2014).
Buyukkilic S., "Energetics of Intermediate Temperature Solid Oxide Fuel Cell Electrolytes: Singly and Doubly doped Ceria Systems", Ph.D. Dissertation, University of California Davis (2014).
Cao B., "Investigations of Non-noble Metal Based Oxynitrides and Nitrides as Electrocatalysts for Oxygen Reduction Reaction and Hydrogen Evolution Reaction", Ph.D. Dissertation, State University of New York at Stony Brook (2014).
Chatterjee S., Jones E.B., Clingenpeel A.C., McKenna A.M., Rios O., McNutt N.W., Keffer D.J., Johs A., "Conversion of Lignin Precursors to Carbon Fibers with Nanoscale Graphitic Domains", ACS Sustainable Chemistry & Engineering, 2, 8, 2002–2010 (2014).
Chaudhari M.I., "Molecular Simulations to Study Thermodynamics of Polyethylene Oxide Solutions", Ph.D. Dissertation, Tulane University (2014).
Cheng Y.Q., Bi Z., Huq A., Feygenson M., Bridges C.A., Paranthaman M.P., Sumpter B.G., "An integrated approach for structural characterization of complex solid state electrolytes: the case of lithium lanthanum titanate", Journal of Materials Chemistry A, 2, 7, 2418-2426 (2014).
Cottingham P., Miller D., Sheckelton J.P., Neilson J.R., Feygenson M., Huq A., McQueen T.M., "Dynamic charge disproportionation in the 1D chain material PdTeI", Journal of Materials Chemistry C, 2, 17, 3238 (2014).
Fitzgibbons T.C., "Synthesis of Carbon Materials Via the Cold Compression of Aromatic Molecules and Carbon Nanostructures", Ph.D. Dissertation, Pennsylvania State University (2014).
Kassem M., Khaoulani S., Cuisset A., Coq D.L., Masselin P., Bychkov E., "Mercury thioarsenate glasses: a hybrid chain/pyramidal network", RSC Advances, 4, 49236-49246 (2014).
Lan S., Wei X., Zhou J., Lu Z.P., Wu X., Feygenson M., Neuefeind J., Wang X.L., "In-situ study of crystallization kinetics in ternary bulk metallic glass alloys withdifferent glass forming abilities", Applied Physics Letters, 105, 201906 (2014).
Laurita G., "Investigation of the Structural Influence on the Properties of Functional Inorganic Oxides", Ph.D. Dissertation, Oregon State University (2014).
Liu J., Chang D., Whitfield P., Janssen Y., Yu X., Zhou Y., Bai J., Ko J.Y., Nam K.W., Wu L., Zhu Y., Feygenson M., Amatucci G., VanderVen A., Yang X.Q., Khalifah P.G., "Ionic Conduction in Cubic Na3TiP3O9N, a Secondary Na-Ion Battery Cathode with Extremely Low Volume Change", Chemistry of Materials, 26, 10, 3295-3305 (2014).
Mancini A., Barbieri V.R., Neuefeind J., Page K., Malavasi L., "Correlation between the local scale structure and the electrochemical properties in lithium orthosilicate cathode materials", Journal of Materials Chemistry A, 2, 17867-17874 (2014).
Maurya D., Pramanick A., Feygenson M., Neuefeind J., Bodnar R.J., Priya S., "Effect of poling on nanodomains and nanoscale structure in A-site disordered lead-free piezoelectric Na0.5Bi0.5TiO3-BaTiO3", Journal of Materials Chemistry C, 2, 39, 8423-8431 (2014).
McNutt N.W., Rios O., Feygenson M., Proffen T., Keffer D.J., "Structural Analysis of Lignin-derived Carbon Composite Anodes", Journal of Applied Crystallography, 47, 5, 1577-1584 (2014).
Reinert A., "Quantification and Control of Inhomogeneity in Wurtzite (GaN) 1-x(ZnO)x Semiconductors for Visible Light Absorption", Ph.D. Dissertation, State University of New York at Stony Brook (2014).
Sato T., Tomiyasu K., Ikeda K., Otomo T., Feygenson M., Neuefeind J., Yamada K., Orimo S.I., "Local atomic structural investigations of precursory phenomenon of the hydrogen release from LiAlD4", Journal of Alloys and Compounds, 586, 244-247 (2014).
Skinner L.B., Benmore C.J., Neuefeind J., Parise J.B., "The structure of water around the compressibility minimum", Journal of Chemical Physics, 141, 21, 214507 (2014).
Skinner L.B., Benmore C.J., Weber R.J., Du J., Neuefeind J., Tumber S.K., Parise J.B., "Low Cation Coordination in Oxide Melts", Physical Review Letters, 112, 157801 (2014).
Vogt A.J., "Studies of Structural and Chemical Ordering in Metallic Liquids and Glasses Using Electrostatic Levitation", Ph.D. Dissertation, Washington University in St Louis (2014).
Weber R.J., Benmore C.J., Skinner L.B., Neuefeind J., Tumber S.K., Jennings G., Santodonato L., Jin D., Du J., Parise J.B., "Measurements of liquid and glass structures using aerodynamic levitation and in-situ high energy x-ray and neutron scattering", Journal of Non-Crystalline Solids, 383, 49-51 (2014).
Yano S., Louca D.A., Neuefeind J., Yan J.Q., Zhou J.S., Goodenough J.B., "Y1-xLax VO3: Effects of doping on orbital ordering", Physical Review B, 90, 214111 (2014).
2013 13 Publications
Benmore C.J., Weber R.J., Tailor A.N., Cherry B.R., Yarger J.L., Mou Q., Weber W., Neuefeind J., Byrn S.R., "Structural characterization and aging of glassy pharmaceuticalsmade using acoustic levitation", Journal of Pharmaceutical Sciences, 102, 4, 1290-1300 (2013).
Bessas D., Rushchanskii K.Z., Kachlik M., Disch S., Gourdon O.A., Bednarcik J., Maca K., Sergueev I., Kamba S., Lezaic M., Hermann R.P., "Lattice instabilities in bulk EuTiO3", Physical Review B, 88, 144308 (2013).
Cao B., Veith G.M., Neuefeind J., Adzic R.R., Khalifah P.G., "Mixed close-packed cobalt molybdenum nitrides as non-noble metal electrocatalysts for the hydrogen evolution reaction", Journal of the American Chemical Society, 135, 51, 19186-19192 (2013).
Cheng J.G., Tian W., Zhou J.S., Lynch V.M., Steinfink H., Manthiram A., May A.F., Garlea V.O., Neuefeind J., Yan J.Q., "Crystal and magnetic structures and physical properties of a new pyroxene NaMnGe2O6 synthesized under high pressure", Journal of the American Chemical Society, 135, 7, 2776-2786 (2013).
Derendorf K.S., "The Design, Construction, and Implementation of an Electrostatic Levitation Facility for Neutron Scattering Studies of Liquids", Ph.D. Dissertation, Washington University in St Louis (2013).
Jensen K.M., "Watching materials form - particle formation and growth during hydrothermal synthesis", Ph.D. Dissertation, Aarhus University (2013).
Liu B., "An investigation of oxide composite anode materials for lithium ion batteries", Ph.D. Dissertation, University of Utah (2013).
Liu B., Abouimrane A., Ren Y., Neuefeind J., Fang Z.Z., Amine K., "Electrochemical study and material characterization of xSiO(1-x)Sn30Co30C40 composite anode material for lithium-ion batteries", Journal of the Electrochemical Society, 160, 6, A882-A887 (2013).
Liu J., Yu X., Hu E., Nam K.W., Yang X.Q., Khalifah P.G., "Divalent iron nitridophosphates: a new class of cathode materials for Li-ion batteries", Chemistry of Materials, 25, 20, 3929-3931 (2013).
Louca D.A., Park K., Li B., Neuefeind J., Yan J.Q., "The hybrid lattice of KxFe2-ySe2: where superconductivity and magnetism coexist", Scientific Reports, 3, 2047 (2013).
Mao A.W., Kaseman D.C., Youngman R.E., Aitken B.G., Sen S., "Structure and bonding characteristics of chalcogenide glasses in thesystem BaSe-Ga2Se3-GeSe2", Journal of Non-Crystalline Solids, 375, 40-46 (2013).
Wang H.W., Wesolowski D.J., Proffen T., Vlcek L., Wang W., Allard L.F., Kolesnikov A.I., Feygenson M., Anovitz L.M., Paul R.L., "Structure and stability of SnO2 nanocrystals and surface-bound water species", Journal of the American Chemical Society, 135, 18, 6885-6895 (2013).
Weber R.J., Benmore C.J., Tailor A.N., Tumber S.K., Neuefeind J., Cherry B.R., Yarger J.L., Mou Q., Weber W., Byrn S.R., "A neutron-X-ray, NMR, and calorimetric strudy of glassy probucol synthesized using containerless techniques", Chemical Physics, 424, 89-92 (2013).
2012 3 Publications
Denault K.A., George N.C., Paden S.R., Brinkley S., Mikhailovsky A.A., Neuefeind J., DenBaars S.P., Seshadri R., "A green-yellow emitting oxyfluoride solid solution phosphor Sr2Ba(AlO4F)1-x(SiO5)x:Ce3+ for thermally stable, high color rendition solid state white lighting", Journal of Materials Chemistry, 22, 18204-18213 (2012).
Neuefeind J., Feygenson M., Carruth J., Hoffmann R., Chipley K., "The Nanoscale Ordered MAterials Diffractometer NOMAD at the Spallation Neutron Source SNS", Nuclear Instruments and Methods in Physics Research Section B, 287, 68-75 (2012).
Skinner L.B., Benmore C.J., Weber R.J., Tumber S.K., Lazareva L., Neuefeind J., Santodonato L., Du J., Parise J.B., "The structure of molten CaSiO3: a neutron diffraction isotope substitution and aerodynamic levitation study", Journal of Physical Chemistry B, 116, 45, 13439-13447 (2012).
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