Publications from Research Conducted at TOPAZ

Single-Crystal Diffractometer

TOPAZ | BL-12 | SNS

Publications from Research Conducted at TOPAZ

The following 164 publications were retrieved from PuSH (Publications of SNS and HFIR)

2024 5 Publications

Cao S., Ma X., Yuan D., Tao Z., Chen X., He Y., Valdivia P., Wu S., Su H., Tian W., Aczel A.A., Liu Y., Wang X.P., Xu Z., Yuan H., Bourret-Courchesne E., Cao C., Lu X., Birgeneau R.J., Song Y., "Superstructures and magnetic order in heavily Cu-substituted (Fe 1−x Cux) 1+y Te", Physical Review B, 109, 4, 045142 (2024).

Dronova M.G., Petricek V., Morgan Z., Ye F., Silevitch D.M., Feng Y., "Three-dimensional checkerboard spin structure on a breathing pyrochlore lattice", Physical Review B, 109, 6, 064421 (2024).

Morano V.C., Gaudet J., Varnava N., Berry T., Halloran T., Lygouras C.J., Wang X.P., Hoffman C.M., Xu G., Lynn J.W., McQueen T.M., Vanderbilt D.E., Broholm C., "Noncollinear 2k antiferromagnetism in the Zintl semiconductor Eu5In2Sb6", Physical Review B, 109, 1, 014432 (2024).

Morgan Z., Ye I., Sarkis C.L., Wang X.P., Nagler S.E., Yan J.Q., "Structure transition and zigzag magnetic order in Ir/Rh-substituted honeycomb lattice α−RuCl 3", Physical Review Materials , 8, 016201 (2024).

Pawledzio S., Wang X.P., "Crystal Engineering of Hydrogen Bonding for Direct Air Capture of CO2: A Quantum Crystallography Perspective", Crystals, 14, 1, 77 (2024).

2023 15 Publications

Berry K.D., Diawara Y., "Neutron Detection Materials, Detector Properties, and Selection", 19–54 Neutron Detectors for Scattering Applications Springer, Cham (2023).

Chiu T., Liao J., Wu Y.Y., Chen J., Chen Y.J., Wang X.P., Kahlal S., Saillard J., Liu C.W., "Hydride Doping Effects on the Structure and Properties of Eight-Electron Rh/Ag Superatoms: The [RhHx@Ag21–x{S2P(OnPr)2}12] (x = 0–2) Series", Journal of the American Chemical Society, 145, 30, 16739–16747 (2023).

Gao B., Chen T., Huang C.L., Qiu Y., Xu G., Liebman J., Chen L., Stone M.B., Feng E., Cao H.B., Wang X.P., Xu X., Cheong S.W., Winter S.M., Dai P.C., "Disorder-induced excitation continuum in a spin- 12 cobaltate on a triangular lattice", Physical Review B, 108, 2, 024431 (2023).

Guan Y., Miao L., He J., Ning J.L., Chen Y., Xie W., Sun J., Gopalan V., Zhu J., Wang X.P., Alem N., Zhang Q., Mao Z.Q., "Layered Semiconductor Cr0.32Ga0.68Te2.33 with Concurrent Broken Inversion Symmetry and Ferromagnetism: A Bulk Ferrovalley Material Candidate", Journal of the American Chemical Society, 145, 4683-4690 (2023).

Jahinge T.H., Payne M.K., Unruh D.K., Jayasinghe A.S., Yu P., Forbes T.Z., "Characterization of Water Structure and Phase Behavior within Metal–Organic Nanotubes", Langmuir, (2023).

Kilpatrick M., Bruhwiler D.L., Carlin E., Gur B., Nagler R., Hoffmann C., Morgan Z., Savici A.T., Tucker M.G., Vacaliuc B., Kuhn A., Mensmann J., Messmer P., Nienhaus M., Roemer S., Tatulea D., "INTERACTIVE AUTOMATED BRAGG PEAK IDENTIFICATION WITH 3D NEUTRON SCATTERING DATA", Journals of Accelerator Conferences Website (JACoW), IPAC'23 - PROCEEDINGS VENICE, ITALY, (2023).

Larson J., "Flux Growth of Lanthanide Intermetallics Containing Interstitials", Ph.D. Dissertation, Florida State University (2023).

Larson J., Hoffmann C., Latturner S.E., "Ce4B2C2F0.14H2.26: Cerium Borocarbides with Fluoride and Hydride Interstitials Grown from Ce/Cu Flux", Crystal Growth and Design, 23, 5919–5924 (2023).

Li Q., Tan Y., Huang B., Yang S., Chai J., Wang X.P., Pei Y., Zhu M., "Mechanistic Study of the Hydride Migration-Induced Reversible Isomerization in Au22(SR)15H Isomers", Journal of the American Chemical Society, 145, 29, 15859-15868 (2023).

Loyd M., Shikhaliev P., "Scintillator-Based Detectors", 171-214 Neutron Detectors for Scattering Applications Springer Nature (2023).

McGuire M.A., Zhang H., May A.F., Okamoto S., Moore R.G., Wang X.P., Girod C., Thomas S.M., Ronning F., Yan J.Q., "Superconductivity by alloying the topological insulator SnBi2Te4", Physical Review Materials , 7, 034802 (2023).

McWilliams S.F., Mercado B.Q., MacLeod K.C., Fataftah M.S., Tarrago M., Wang X.P., Bill E., Ye S., Holland P.L., "Dynamic effects on ligand field from rapid hydride motion in an iron(ii) dimer with an S = 3 ground state", Chemical Science, 14, 2303-2312 (2023).

Sandemann J., Stockler K.A., Wang X.P., Chakoumakos B.C., Iversen B.B., "Benchmark Crystal Structure of Defect-Free Spinel ZnFe2O4", Journal of the American Chemical Society, 145, 38, 21053–21065 (2023).

Silalahi R.P., Liang H., Jo Y., Liao J., Chiu T., Wu Y.Y., Wang X.P., Kahlal S., Wang Q., Choi W., Lee D., Saillard J., Liu C.W., "Hydride-Containing Pt-doped Cu-rich Nanoclusters: Synthesis, Structure, and Electrocatalytic Hydrogen Evolution", Chemistry - A European Journal, (2023).

Yin J., Liu S., Reshniak V., Wang X.P., Zhang G., "A scalable transformer model for real-time decision making in neutron scattering experiments", Journal of Machine Learning for Modeling and Computing, 4, 95-107 (2023).

2022 12 Publications

Chen L., Mao C., Chung J.H., Stone M.B., Kolesnikov A.I., Wang X.P., Murai N., Gao B., Delaire O., Dai P.C., "Anisotropic magnon damping by zero-temperature quantum fluctuations in ferromagnetic CrGeTe3", Nature Communications, 13, 4037 (2022).

Chiu T., Liao J., Gam F., Wu Y.Y., Wang X.P., Kahlal S., Saillard J., Liu C.W., "Hydride-Containing Eight-Electron Pt/Ag Superatoms: Structure, Bonding, and Multi-NMR Studies", Journal of the American Chemical Society, 144, 10599-10607 (2022).

Dronova M.G., Ye F., Cooper S.E., Krishnadas A., Hoffmann C., Fujisawa Y., Okada Y., Khomskii D., Feng Y., "Controlling inversion disorder in a stoichiometric spinel magnet", Proceedings of the National Academy of Sciences of the United States of America, 119, e2208748119 (2022).

Elakkat V., Tessema E., Lin C.H., Wang X.P., Chang H.C., Zheng Y.N., Huang Y.C., Gurumallappa G., Zhang Z.Y., Chan K.L., Asti H.R., Francisco J.S., Lu N., "Unusual Changes of C–H Bond Lengths in Chiral Zinc Complexes Induced by Noncovalent Interactions", Angewandte Chemie International Edition, (2022).

Limbach M.N., Antevska A., Oluwatoba D.S., Gray A.L., Carroll X.B., Hoffmann C., Wang X.P., Voehler M.W., Steren C.A., Do T.D., "Atomic View of Aqueous Cyclosporine A: Unpacking a Decades-Old Mystery", Journal of the American Chemical Society, 144, 12602-12607 (2022).

Mu S., Dixit K.D., Wang X.P., Abernathy D.L., Cao H.B., Nagler S.E., Yan J.Q., Lampen-Kelley P., Mandrus D., Polanco C.A., Liang L., Halasz G.B., Cheng Y.Q., Banerjee A., Berlijn T., "Role of the third dimension in searching for Majorana fermions in α − RuCl 3 via phonons", Physical Review Research, 4, 013067 (2022).

Porro J.M., Shalan A.E., Salado M., "Advanced Neutron and Synchrotron Characterization Techniques for Nanocomposite Perovskite Materials Toward Solar Cells Applications", 613-661 Advances in Nanocomposite Materials for Environmental and Energy Harvesting Applications Springer (2022).

Scheie A., Ziebel M., Chica D.G., Bae Y.J., Wang X.P., Kolesnikov A.I., Zhu X., Roy X., "Spin Waves and Magnetic Exchange Hamiltonian in CrSBr", Advanced Science, 9, 2202467 (2022).

Silalahi R.P., Wang Q., Liao J., Chiu T., Wu Y.Y., Wang X.P., Kahlal S., Saillard J., Liu C.W., "Reactivities of Interstitial Hydrides in a Cu11 Template: En Route to Bimetallic Clusters", Angewandte Chemie International Edition, 61, 2, e202113266 (2022).

van Zyl W.E., Liu C.W., "Interstitial Hydrides in Nanoclusters can Reduce M(I) (M=Cu, Ag, Au) to M(0) and Form Stable Superatoms", Chemistry - A European Journal, 28, e202104241 (2022).

Wang X., Wang C., Liu B., Ma X., Li G., Wang X.P., Wang C., Shi Y., Yang Y.f., Li S., "Neutron diffraction and linear Grüneisen parameter studies of magnetism in NdFe 2 Ga 8", Physical Review B, 105, 035152 (2022).

Wilde J.M., Riberolles S.X., Das ., Liu Y., Heitmann T.W., Wang X.P., Straszheim W.E., Bud'ko S.L., Canfield P.C., Kreyssig A., McQueeney R.J., Ryan D.H., Ueland B.G., "Canted antiferromagnetic phases in the candidate layered Weyl material EuMnSb 2", Physical Review B, 106, 024420 (2022).

2021 17 Publications

Bruhwiler K.C., Bruhwiler D.L., Nagler R., Moeller P., Hoffmann C., Savici A.T., Morgan Z., Tucker M.G., Kuhn A., Mensmann J., Messmer P., Nienhaus M., Roemer S., Tatulea D., "Rapid Browser-Based Visualization of Large Neutron Scattering Datasets", 12th International Particle Accelerator Conference (IPAC 2021), (2021).

Chakrahari K.K., Liao J., Silalahi R.P., Chiu T., Liao J., Wang X.P., Kahlal S., Saillard J., Liu C.W., "Isolation and Structural Elucidation of 15-Nuclear Copper Dihydride Clusters: An Intermediate in the Formation of a Two-Electron Copper Superatom", Small, 17, 27, 2002544 (2021).

Curley J.B., Smith N.E., Bernskoetter W.H., Ertem M.Z., Hazari N., Mercado B.Q., Townsend T.M., Wang X.P., "Understanding the Reactivity and Decomposition of a Highly Active Iron Pincer Catalyst for Hydrogenation and Dehydrogenation Reactions", ACS Catalysis, 11, 10631–10646 (2021).

Custelcean R., "Direct air capture of CO2 via crystal engineering", Chemical Science, 12, 12518-12528 (2021).

Fancher C.M., Hoffmann C., Wang X.P., Daemen L.L., Schultz A.J., "Operando single crystal neutron diffraction reveals insight into the field response mechanisms in the hydrogen-bonded KH2PO4 ferroelectric", APL Materials, 9, 021111 (2021).

Gao Y., Meshkat S., Johnston A., Zheng C., Walters G., Feng Q., Wang X.P., Sun M., Najarian A.M., Xue D., Wang Y., Saidaminov M.I., Voznyy O., Hoogland S., Sargent E.H., "Electro-Optic Modulation Using Metal-Free Perovskites", ACS Applied Materials & Interfaces, 13, 16, 19042–19047 (2021).

Gaudet J., Yang H.Y., Baidya S., Lu B., Xu G., Zhao Y., Rodriguez-Rivera J.A., Hoffmann C., Graf D., Torchinsky D.H., Nikolic P., Vanderbilt D.E., Tafti F.F., Broholm C., "Weyl-mediated helical magnetism in NdAlSi", Nature Materials, 20, 1650-1656 (2021).

Hertz M.B., Baumbach R.E., Wang X.P., Latturner S.E., "Unexpected Hydride: Ce4B2C2H2.42, a Stuffed Variant of the Nd2BC Structure Type", Crystal Growth and Design, 21, 5164-5171 (2021).

Kim S., "Catalytic Hydrogenation of Metal Nitrides to Generate Ammonia Using Transition Metal Hydrides", Ph.D. Dissertation, Princeton University (2021).

Liu Y., Wang L., Zheng Q., Huang Z., Wang X.P., Chi M., Wu Y., Chakoumakos B.C., McGuire M.A., Sales B.C., Wu W., Yan J.Q., "Site Mixing for Engineering Magnetic Topological Insulators", Physical Review X, 11, 021033 (2021).

Lu N., Elakkat V., Thrasher J.S., Wang X.P., Tessema E., Chan K.L., Wei R.J., Trabelsi T., Francisco J.S., "Neutron Diffraction Study of Significant sp3 and sp2 C–H Bond Shortening in a Fluorinated Pyridinium Saccharinate", Journal of the American Chemical Society, 143, 14, 5550–5557 (2021).

Morgan Z., Zhou H., Chakoumakos B.C., Ye F., "rmc-discord: reverse Monte Carlo refinement of diffuse scattering and correlated disorder from single crystals", Journal of Applied Crystallography, 54, 1867-1885 (2021).

Rahn M.C., Gallagher A., Orlandi F., Khalyavin D., Hoffmann C., Manuel P., Baumbach R.E., Janoschek M., "Collinear antiferromagnetic order in URu2Si2-x Px revealed by neutron diffraction", Physical Review B, 103, 214403 (2021).

Weng J., "Development of 3-D Diffraction Techniques for Characterizing Disordered Systems", Ph.D. Dissertation, North Carolina State University (2021).

Wenger J.S., Wang X.P., Johnstone T.C., "H-Atom Assignment and Sb–O Bonding of [Mes3SbOH][O3SPh] Confirmed by Neutron Diffraction, Multipole Modeling, and Hirshfeld Atom Refinement", Inorganic Chemistry, 60, 16048-16052 (2021).

Yang H.Y., "Novel Electromagnetic Responses in Topological Semimetals: Case Studies of Rare-Earth Monopnictides and RAlX Material Family", Ph.D. Dissertation, Boston College (2021).

Ye F., Morgan Z., Tian W., Chi S.X., Wang X.P., Manley M.E., Parker D.S., Khan M.A., Mitchell J.F., Fishman R.S., "Canted antiferromagnetic order and spin dynamics in the honeycomb-lattice compound Tb 2 Ir 3 Ga 9", Physical Review B, 103, 18, 184413 (2021).

2020 16 Publications

Barik S.K., Huo S., Wu C., Chiu T., Liao J., Wang X.P., Kahlal S., Saillard J., Liu C.W., "Polyhydrido Copper Nanoclusters with a Hollow Icosahedral Core: [Cu30H18{E2P(OR)2}12] (E=S or Se; R=n Pr, i Pr or i Bu)", Chemistry - A European Journal, 26, 46, 10471-10479 (2020).

Cao G., Zheng H., Zhao H.D., Ni Y.F., Pocs C.A., Zhang Y., Ye F., Hoffmann C., Wang X.P., Lee M., Hermele M., Kimchi I., "Quantum liquid from strange frustration in the trimer magnet Ba4Ir3O10", npj Quantum Materials, 5, 26 (2020).

Custelcean R., Williams N.J., Wang X.P., Garrabrant K.A., Martin H., Kidder M.K., Ivanov A.S., Bryantsev V., "Dialing in Direct Air Capture of CO2 by Crystal Engineering of Bis‐iminoguanidines", ChemSusChem, 13, 23, 6381-6390 (2020).

Engstrand T.O., Cope E.M., Vasquez G., Haddock J.W., Hertz M.B., Wang X.P., Latturner S.E., "Flux Synthesis of a Metal Carbide Hydride Using Anthracene As a Reactant", Inorganic Chemistry, 59, 11651-11657 (2020).

Hertz M.B., "Explorations in Metal Flux Synthesis: from Layered Materials to f-Block Chemistry", Ph.D. Dissertation, Florida State University (2020).

Jin S., Xu H., Wang X.P., Jacobs R., Morgan D., "The incommensurately modulated structures of low-temperature labradorite feldspars: a single-crystal X-ray and neutron diffraction study", Acta Crystallographica Section B, B76, 93-107 (2020).

Johnston A., Dinic F., Todorovic P., Chen B., Sagar L.K., Saidaminov M.I., Hoogland S., Voznyy O., Sargent E.H., "Narrow Emission from Rb3Sb2I9 Nanoparticles", Advanced Optical Materials, 8, 1901606 (2020).

Marsicano A., "Mesoscopic oxygen ordering linked to low-temperature oxygen diffusion mechanisms in non-stoichiometric oxides with ruddlesden-popper frameworks", Ph.D. Dissertation, Institut Charles Gerhardt de Montpellier (2020).

Massani B., Loveday J.S., Molaison J.J., Dos Santos A.M., Wang X.P., Daemen L.L., Haberl B., Boehler R., Guthrie M., "On single-crystal neutron-diffraction in DACs: quantitative structure refinement of light elements on SNAP and TOPAZ", High Pressure Research, 40, 3, 339-357 (2020).

Purevjav N., Okuchia T., Hoffmann C., "Strong hydrogen bonding in a dense hydrous magnesium silicate discovered by neutron Laue diffraction", IUCrJ, 7, 370-374 (2020).

Silalahi R.P., Huang G.R., Liao J., Chiu T., Chakrahari K.K., Wang X.P., Cartron J., Kahlal S., Saillard J., Liu C.W., "Copper Clusters Containing Hydrides in Trigonal Pyramidal Geometry", Inorganic Chemistry, 59, 2536-2547 (2020).

Smith J.A., "Strategies Toward Nucleophilic Additions to eta-2 Bound Arenes", Ph.D. Dissertation, University of Virginia (2020).

Smith J.A., Wilson K.B., Sonstrom R.E., Kelleher P.J., Welch K.D., Pert E.K., Westendorff K.S., Dickie D.A., Wang X.P., Pate B.H., Harman W.D., "Preparation of cyclohexene isotopologues and stereoisotopomers from benzene", Nature, 581, 288-293 (2020).

Tener Z.P., "Control of Itinerant Magnetism Through Modification and Chemical Design", Ph.D. Dissertation, Florida State University (2020).

Weng J., Dill E.D., Martin J.D., Whitfield R.E., Hoffmann C., Ye F., "K-space algorithmic reconstruction (KAREN): a robust statistical methodology to separate Bragg and diffuse scattering", Journal of Applied Crystallography, 53, 159-169 (2020).

Ye F., Hoffmann C., Tian W., Zhao H.D., Cao G., "Pseudospin-lattice coupling and electric control of the square-lattice iridate Sr 2 Ir O 4", Physical Review B, 102, 115120 (2020).

2019 21 Publications

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).

Cammarota R.C., Xie J., Burgess S.A., Vollmer M.V., Vogiatzis K.D., Ye J., Linehan J.C., Appel A.M., Hoffmann C., Wang X.P., Young V.G., Lu C.C., "Thermodynamic and kinetic studies of H2 and N2 binding to bimetallic nickel-group 13 complexes and neutron structure of a Ni(h2 -H2) adduct", Chemical Science, 10, 7029-7042 (2019).

Chakrahari K.K., Silalahi R.P., Wang X.P., Kahlal S., Liu Y.C., Chiang M.H., Saillard J., Liu C.W., "Synthesis of Bimetallic Copper‐Rich Nanoclusters Encapsulating a Linear Palladium Dihydride Unit", Angewandte Chemie International Edition, 58, 15, 4943-4947 (2019).

Fancher C.M., Hoffmann C., Frontzek M., Bunn J.R., Payzant E.A., "Probing orientation information using 3-dimensional reciprocal space volume analysis", Review of Scientific Instruments, 90, 1, 013902 (2019).

Garlea V.O., Sanjeewa L.D., McGuire M.A., Batista C.D., Samarakoon A.M., Graf D., Winn B.L., Ye F., Hoffmann C., Kolis J.W., "Exotic Magnetic Field-Induced Spin-Superstructures in a Mixed Honeycomb-Triangular Lattice System", Physical Review X, 9, 1, 011038 (2019).

Garner M.E., "Synthesis and Reactivity of Actinide Bis(N-Heterocyclic Carbene)Borate Complexes", Master's Thesis, University of California Berkeley (2019).

Gianopoulos C.G., Chua Z., Zhurov V.V., Seipp C.A., Wang X.P., Custelcean R., Pinkerton A.A., "Direct air capture of CO2 – topological analysis of the experimental electron density (QTAIM) of the highly insoluble carbonate salt of a 2,6-pyridine-bis-(iminoguanidine), (PyBIGH2)(CO3)(H2O)4", IUCrJ, 6, 1, (2019).

Jin S., "A comprehensive study on the subsolidus phase relations of the plagioclase feldspar solid solution", Ph.D. Dissertation, University of Wisconsin - Madison (2019).

Jin S., Xu H., Wang X., Zhang D., Jacobs R., Morgan D., "The incommensurately modulated structures of volcanic plagioclase: displacement, ordering and phase transition", Acta Crystallographica Section B, 75, 643-656 (2019).

Kim S., Loose F., Bezdek M.J., Wang X.P., Chirik P., "Hydrogenation of N-Heteroarenes Using Rhodium Precatalysts: Reductive Elimination Leads to Formation of Multimetallic Clusters", Journal of the American Chemical Society, 141, 17900-17908 (2019).

Lengyel J., "Search for Electrically Ordered Phases in Hydrogen-Bonded Molecular Cocrystals", Ph.D. Dissertation, Florida State University (2019).

Lengyel J., Wang X.P., Choi E.S., Besara T., Schonemann R., Ramakrishna S.K., Holleman J., Blockmon A.L., Hughey K.D., Liu T., Hudis J., Beery D., Balicas L., McGill S.A., Hanson K., Musfeldt J.L., Siegrist T., Dalal N., Shatruk M., "Antiferroelectric Phase Transition in a ProtonTransfer Salt of Squaric Acid and 2,3-Dimethylpyrazine", Journal of the American Chemical Society, 141, 16279-16287 (2019).

Meier W.R., Yan J.Q., McGuire M.A., Wang X.P., Christianson A.D., Sales B.C., "Reorientation of antiferromagnetism in cobalt doped FeSn", Physical Review B, 100, 184421 (2019).

Schmehr J.L., Zoghlin E., Porter Z., Wang X.P., Ruff J.P., Tian W., Islam Z., Wilson S.D., "Preferential quenching of 5d antiferromagnetic order in Sr3(Ir1−x Mn x )2O7", Journal of Physics: Condensed Matter, 31, 24, 244003 (2019).

Schneeloch J.A., Duan C., Yang J., Liu J., Wang X.P., Louca D.A., "Emergence of topologically protected states in the MoTe2 Weyl semimetal with layer-stacking order", Physical Review B, 99, 16, 161105(R) (2019).

Sefat A.S., Wang X.P., Liu Y., Zou Q., Fu M., Gai Z., Ganesan K., Vohra Y.K., Li L., Parker D.S., "Lattice disorder effect on magnetic ordering of iron arsenides", Scientific Reports, 9, 20147 (2019).

Xue Z., Ramirez-Cuesta A.J., Brown C.M., Calder S., Cao H.B., Chakoumakos B.C., Daemen L.L., Huq A., Kolesnikov A.I., Mamontov E., Podlesnyak A., Wang X.P., "Neutron Instruments for Research in Coordination Chemistry", European Journal of Inorganic Chemistry, 2019, 8, 1065-1089 (2019).

Xue Z., Stavretis S.E., Moseley D.H., Fei F., Cui H.H., Cheng Y.Q., Podlesnyak A., Wang X.P., Daemen L.L., Hoffmann C., Ozerov M., Lu Z., Thirunavukkuarasu K., Smirnov D., Chang T., Chen Y.S., Ramirez-Cuesta A.J., Chen X.T., "Spectroscopic Studies of the Magnetic Excitation and Spin-Phonon Couplings in a Single-Molecule Magnet", Chemistry - A European Journal, 25, 69, 15846-15857 (2019).

Yamada T., Yano N., Hosoya T., Kusaka K., "Single-crystal time-of-flight neutron Laue methods: application to manganese catalase from Thermus thermophilus HB27", Journal of Applied Crystallography, 52, (2019).

Zhao H.D., Hu B., Ye F., Hoffmann C., Kimchi I., Cao G., "Nonequilibrium orbital transitions via applied electrical current in calcium ruthenates", Physical Review B, 100, 241104(R) (2019).

Zhao H.D., Ye F., Zheng H., Hu B., Ni Y.F., Zhang Y., Kimchi I., Cao G.H., "Ground state in the novel dimer iridate Ba13Ir6O30 with Ir6+ (5d3) ions", Physical Review B, 100, 064418 (2019).

2018 22 Publications

Barry M.C., "Exploring Heterometallic β-Diketonates for the Low Temperature Synthesis of Energy-Related Oxide and Fluoride Materials", Ph.D. Dissertation, University at Albany, State University of New York (2018).

Cammarota R.C., "Greater than the Sum of Its Parts: Tuning Nickel for Uncommon Small Molecule Reactivity and Catalysis via Dative Bonds with Group 13 Lewis Acidic Metalloligands", Ph.D. Dissertation, University of Minnesota - Twin Cities (2018).

Coates L., Cao H.B., Chakoumakos B.C., Frontzek M., Hoffmann C., Kovalevsky A., Liu Y., Meilleur F., Dos Santos A.M., Myles D.A., Wang X.P., Ye F., "A suite-level review of the neutron single-crystal diffraction instruments at Oak Ridge National Laboratory", Review of Scientific Instruments, 89, 9, 092802 (2018).

Fancher C.M., Hoffmann C., Sedov V.N., Parizzi A., Zhou W., Schultz A.J., Wang X.P., Long D., "Time filtering of event based neutron scattering data: A pathway to study the dynamic structural responses of materials", Review of Scientific Instruments, 89, 9, 092803 (2018).

Huegle T., Iverson E.B., Gallmeier F.X., "Beam power nonlinearity: twice the power, but not twice the neutrons?", Journal of Physics: Conference Series, 1021, 1, 012070 (2018).

Jin S., Wang X.P., Xu H., "Revisiting the I-1 structures of high-temperature Ca-rich plagioclase feldspar – a single-crystal neutron and X-ray diffraction study", Acta Crystallographica Section B, B74, 152-164 (2018).

Juda C., "Synthesis, Characterization, and Reactivity of Heterometallic Trinuclear Clusters", Ph.D. Dissertation, Harvard University (2018).

Kim J.S., VanGennep D., Hamlin J.J., Wang X.P., Sefat A.S., Stewart G.R., "Unusual Effects of Be doping in the Iron Based Superconductor FeSe", Journal of Physics: Condensed Matter, 30, 44, 445701 (2018).

Pasco C., Trump B.A., Tran T.T., Kelly Z.A., Hoffmann C., Heinmaa I., Stern R., McQueen T.M., "Single-crystal growth of C u 4 ( OH ) 6 BrF and universal behavior in quantum spin liquid candidates synthetic barlowite and herbertsmithite", Physical Review Materials , 2, 4, 044406 (2018).

Pramanick A., "Characterization of Pb-Free KNbO3- and (Na,Bi)TiO3-Based Piezoelectric Single-Crystals Using X-ray and Neutron Diffraction", Crystals, 8, 49 (2018).

Prisk T.R., Hoffmann C., Kolesnikov A.I., Mamontov E., Podlesnyak A., Wang X.P., Kent P.R., Anovitz L.M., "Fast Rotational Diffusion of Water Molecules in a 2D Hydrogen Bond Network at Cryogenic Temperatures", Physical Review Letters, 120, 196001 (2018).

Purevjav N., Okuchi T., Wang X.P., Hoffmann C., Tomioka N., "Determination of hydrogen site and occupancy in hydrous Mg2SiO4 spinel by single-crystal neutron diffraction", Acta Crystallographica Section B, 74, 1, 115-120 (2018).

Sharninghausen L.S., "Transition Metal Complexes for Glycerol Dehydrogenation and Study of Water Oxidation Catalysis", Ph.D. Dissertation, Yale University (2018).

Sheng J.M., Ye F., Hoffmann C., Cooper V.R., Okamoto S., Terzic J., Zheng H., Zhao H.D., Cao G., "Anisotropic antiferromagnetic order in the spin-orbit coupled trigonal-lattice Ca 2 Sr 2 IrO 6", Physical Review B, 97, 23, 235116 (2018).

Shoshani M.M., Beck R., Wang X.P., McLaughlin M.J., Johnson S.A., "Synthesis of Surface-Analogue Square-Planar Tetranuclear Nickel Hydride Clusters and Bonding to μ4-NR, -O and -BH Ligands", Inorganic Chemistry, 57, 5, 2438–2446 (2018).

Stavretis S.E., "Probing Magnetic and Vibrational Properties of Molecular Compounds by Neutron Scattering", Ph.D. Dissertation, University of Tennessee (2018).

Sullivan B., Archibald R., Dobbek H., Bommer M., McFeeters R.L., Coates L., Wang X.P., Gallmeier F.X., Carpenter J.M., Lynch V.E., Langan P., Langan P.S., "Improving the accuracy and resolution of neutron crystallographic data by three-dimensional profile fitting of Bragg peaks in reciprocal space", Acta Crystallographica Section D, D74, 10, 946-1038 (2018).

Tran T.T., Quintero M.A., Arpino K.E., Kelly Z.A., Panella J.R., Wang X.P., McQueen T.M., "Chemically controlled crystal growth of (CH3NH3)2AgInBr6", CrystEngComm, 20, 39, 5929-5934 (2018).

Wang C.L., Paranthaman M.P., Riedel R.A., Hodges J.P., Karlic J.J., Veatch R.A., Li L., Bridges C.A., "Bright Eu2+-activated polycrystalline ceramic neutron scintillators", Nuclear Instruments and Methods in Physics Research Section A, 883, 1-8 (2018).

Yang B., Ming W., Du M., Keum J.K., Puretzky A., Rouleau C.M., Huang J., Geohegan D.B., Wang X.P., Xiao K., "Real‐Time Observation of Order‐Disorder Transformation of Organic Cations Induced Phase Transition and Anomalous Photoluminescence in Hybrid Perovskites", Advanced Materials, 30, 22, 1705801 (2018).

Ye F., Wang J.C., Sheng J.M., Hoffmann C., Gu T., Xiang H.J., Tian W., Molaison J.J., Dos Santos A.M., Matsuda M., Chakoumakos B.C., Fernandez-Baca J.A., Tong X., Gao B., Kim J.W., Cheong S.W., "Soft antiphase tilt of oxygen octahedra in the hybrid improper multiferroic Ca 3 Mn 1.9 Ti 0.1 O 7", Physical Review B, 97, 4, 041112 (R) (2018).

Zheng S.L., Chen Y.S., Wang X.P., Hoffmann C., Volkov A., "From the source: student-centred guest lecturing in a chemical crystallography class", Journal of Applied Crystallography, 51, 909-914 (2018).

2017 13 Publications

Athauda A., Hoffmann C., Aswartham S., Terzic J., Cao G., Zhu X., Ren Y., Louca D.A., "Ferro-Lattice-Distortions and Charge Fluctuations in Superconducting LaO1−xFxBiS2", Journal of the Physical Society of Japan, 86, 5, 054701 (2017).

Campbell E.V., Wang X.P., Miller J.S., "Crystal Structure of Hydrazinium Iodide by Neutron Diffraction", Journal of Chemical Crystallography, 47, 6, 241–244 (2017).

Hogan T., Wang X.P., Chu H., Hsieh D., Wilson S.D., "Doping-driven structural distortion in the bilayer iridate ( Sr 1 − x La x ) 3 Ir 2 O 7", Physical Review B, 95, 17, 174109 (2017).

Joergensen M.R., Piccoli P.M., Hathwar V.R., Wang X.P., Hoffmann C., Yakovenko A.A., Halder G.J., Schlueter J.A., Iversen B.B., Schultz A.J., "Neutron and X-ray investigations of the Jahn-Teller switch in partially deuterated ammonium copper Tutton salt, (NH4)2[Cu(H2O)6](SO4)2", Acta Crystallographica Section B, 73, 1, 87-93 (2017).

Kibalin I.A., Yan Z., Voufack A.B., Gueddida S., Gillon B., Gukasov A., Porcher F., Bataille A.M., Morini F., Claiser N., Souhassou M., Lecomte C., Gillet J.M., Ito M., Suzuki K., Sakurai H., Sakurai Y., Hoffmann C., Wang X.P., "Spin density in YTiO 3 : I. Joint refinement of polarized neutron diffraction and magnetic x-ray diffraction data leading to insights into orbital ordering", Physical Review B, 96, 5, 054426 (2017).

Liao J., "A Size Effect in Self-Assembly Process: Halide-Encapsulated Silver(I) Clusters Stabilized by dichalcogenophosphinate Ligands; X-ray and Neutron Diffraction Studies of Copper Hydride Clusters", Ph.D. Dissertation, National Dong HWA University (2017).

Lieberman C.M., Barry M.C., Wei Z., Rogachev A.Y., Wang X.P., Liu J.L., Clerac R., Chen Y.S., Filatov A.S., Dikarev E.V., "Position Assignment and Oxidation State Recognition of Fe and Co Centers in Heterometallic Mixed-Valent Molecular Precursors for the Low-Temperature Preparation of Target Spinel Oxide Materials", Inorganic Chemistry, 56, 16, 9574–9584 (2017).

McNally J.S., Wang X.P., Hoffmann C., Wilson A.D., "Self-assembly of molecular ions via like-charge ion interactions and through-space defined organic domains", Chemical Communications, 53, 79, 10934-10937 (2017).

Okuchi T., Purevjav N., Tomioka N., "Quantitative Analysis of Hydrogen Site and Occupancy in a Deep-Earth Hydrous Mineral by Time-of-Flight Single Crystal Laue Neutron Diffraction", Nihon Kessho Gakkaishi, 59, 6, 309-315 (2017).

Olds T., Dembowski M., Wang X.P., Hoffmann C., Alam T.M., Hickam S., Pellegrini K.L., He J., Burns P.C., "Single-Crystal Time-of-Flight Neutron Diffraction and Magic-Angle-Spinning NMR Spectroscopy Resolve the Structure and 1H and 7Li Dynamics of the Uranyl Peroxide Nanocluster U60", Inorganic Chemistry, 56, 16, 9676–9683 (2017).

Seipp C.A., Williams N.J., Kidder M.K., Custelcean R., "CO2 Capture from Ambient Air by Crystallization with a Guanidine Sorbent", Angewandte Chemie International Edition, 56, 4, 1042-1045 (2017).

Sharninghausen L.S., Mercado B.Q., Hoffmann C., Wang X.P., Campos J., Crabtree R.H., Balcells D., "The neutron diffraction structure of [Ir4(IMe)8H10]2+ polyhydride cluster: Testing the computational hydride positional assignments", Journal of Organometallic Chemistry, 849–850, 17-21 (2017).

Xu H., Hu C.T., Wang X.P., Diao T., "Structural Characterization of β-Agostic Bonds in Pd-Catalyzed Polymerization", Organometallics, 36, 21, 4099–4102 (2017).

2016 12 Publications

Comin R., Crawford M.K., Said A.H., Herron N., Guise W.E., Wang X.P., Whitfield P., Jain A., Gong X., McGaughey A.J., Sargent E.H., "Lattice dynamics and the nature of structural transitions in organolead halide perovskites", Physical Review B, 94, 094301 (2016).

Dembowski M., Olds T., Pellegrini K.L., Hoffmann C., Wang X.P., Hickam S., He J., Oliver A.G., Burns P.C., " Solution 31P NMR study of the acid-catalyzed formation of a highly charged {U24Pp12} nanocluster [(UO2)24(O2)24(P2O7)12]48- and its structural characterization in the solid state using single crystal neutron diffraction", Journal of the American Chemical Society, 138, 27, 8547-8553 (2016).

Dhayal R.S., van Zyl W.E., Liu C.W., "Polyhydrido Copper Clusters: Synthetic Advances, Structural Diversity, and Nanocluster-to-Nanoparticle Conversion", Accounts of Chemical Research, 49, 1, 86–95 (2016).

Hogan T., "Probing the spin-orbit Mott state in Sr3Ir2O7 by electron doping", Ph.D. Dissertation, Boston College (2016).

Hogan T., Bjaalie L., Zhao L., Belvin C., Wang X.P., Van de Walle C.G., Hsieh D., Wilson S.D., "Structural investigation of the bilayer iridate Sr3Ir2O7", Physical Review B, 93, 13, 134110 (2016).

Michels-Clark T.M., Savici A.T., Lynch V.E., Wang X.P., Hoffmann C., "Expanding Lorentz and spectrum corrections to large volumes of reciprocal space for single-crystal time-of-flight neutron diffraction", Journal of Applied Crystallography, 49, 497-506 (2016).

Phelan W.A., Koohpayeh S.M., Cottingham P., Tutmaher J.A., Leiner J., Lumsden M.D., Lavelle C.M., Wang X.P., Hoffmann C., Siegler M.A., Haldolaarachchige N., Young D.P., McQueen T.M., "On the Chemistry and Physical Properties of Flux and Floating Zone Grown SmB6 Single Crystals", Scientific Reports, 6, 20860 (2016).

Purevjav N., Okuchi T., Tomioka N., Wang X.P., Hoffmann C., "Quantitative analysis of hydrogen sites and occupancy in deep mantle hydrous wadsleyite using single crystal neutron diffraction", Scientific Reports, 6, 34988 (2016).

Ren Y., Oswald I.W., Wang X.P., McCandless G.T., Chan J., " Orientation of Organic Cations in Hybrid Inorganic-Organic Perovskite CH3NH3PbI3 from Sub-atomic Resolution Single Crystal Neutron Diffraction Structural Studies", Crystal Growth and Design, 16, 5, 2945–2951 (2016).

Wang C.L., Riedel R.A., "Improved neutron-gamma discrimination for a 6Li-glass neutron detector using digital signal analysis methods", Review of Scientific Instruments, 87, 01, 013301 (2016).

Whitfield P., Coelho A.A., "Asymmetric band flipping for time-of-flight neutron diffraction data", Journal of Applied Crystallography, 49, 1806-1809 (2016).

Woods T.J., "Geometric and Electronic Control of the Magnetic Properties of First-Row Transition Metal Complexes", Ph.D. Dissertation, Texas A&M (2016).

2015 12 Publications

Bullock R.M., Helm M.L., "Molecular Electrocatalysts for Oxidation of Hydrogen Using Earth-Abundant Metals: Shoving Protons Around with Proton Relays", Accounts of Chemical Research, 48, 7, 2017–2026 (2015).

Dhayal R.S., Liao J., Kahlal S., Wang X.P., Liu Y.C., Chiang M.H., van Zyl W.E., Saillard J., Liu C.W., "[Cu32(H)20{S2P(OiPr)2}12]: The largest number of hydrides recorded in a molecular nanaocluster by neutron diffraction", Chemistry - A European Journal, 21, 9, 8369-8374 (2015).

Dhayal R.S., Liao J., Wang X.P., Liu Y.C., Chiang M.H., Kahlal S., Saillard J., Liu C.W., "Diselenophosphate-Induced Conversion of an Achiral [Cu20H11{S2P(OiPr)2}9] into a Chiral [Cu20H11{Se2P(OiPr)2}9] Polyhydrido Nanocluster", Angewandte Chemie International Edition, 54, 46, 13604–13608 (2015).

Fong H., "Metallaboratrane Facilitated E-H Bond Activation and Hydrogenation Catalysis", Ph.D. Dissertation, California Institute of Technology (2015).

Hathwar V.R., Sist M., Joergensen M.R., Mamakhel A.H., Wang X.P., Hoffmann C., Sugimoto K., Overgaard J., Iversen B.B., "Quantitative analysis of intermolecular interactions in orthorhombic rubrene", IUCrJ, 2, 5, 563-574 (2015).

McIntyre G.J., "Area detectors in single-crystal neutron diffraction", Journal of Physics D: Applied Physics, 48, 50, 504002 (2015).

Okuchi T., Purevjav N., Tomioka N., Lin J.F., Kuribayashi T., Schoneveld L., Hwang H., Sakamoto N., Kawasaki N., Yurimoto H., "Synthesis of large and homogeneous single crystals of water-bearing minerals by slow cooling at deep-mantle pressures.", American Mineralogist, 100, 7, 1483-1492 (2015).

Pellegrini K.L., "Solid State and Aqueous Behavior of Uranyl Peroxide Cage Clusters", Ph.D. Dissertation, University of Notre Dame (2015).

Pramanick A., Wang X.P., Hoffmann C., Diallo S.O., Joergensen M.R., Wang X.L., "Microdomain dynamics in single-crystal BaTiO3 during paraelectric-ferroelectric phase transition measured with time-of-flight neutron scattering", Physical Review B, 92, 17, 174103 (2015).

Ren Z., "Combined neutron, transport and material based investigation in Ca3Ir4Sn13", Ph.D. Dissertation, Boston College (2015).

Riedel R.A., Donahue N., Visscher T., Montcalm C., "Design and performance of a large area neutron sensitive anger camera", Nuclear Instruments and Methods in Physics Research Section A, 794, 224-233 (2015).

Ye F., Wang X.P., Hoffmann C., Wang J.C., Chi S.X., Matsuda M., Chakoumakos B.C., Fernandez-Baca J.A., Cao G., "Structure symmetry determination and magnetic structure evolution in Sr2 Ir1-xRhxO4", Physical Review B, 92, 20, 201112(R) (2015).

2014 11 Publications

Arnold O., Bilheux J., Borreguero J.M., Buts A., Campbell S.I., Chapon L.C., Doucet M., Draper N., Leal R.F., Gigg M.A., Lynch V.E., Markvardsen A., Mikkelson D.J., Mikkelson R.L., Miller R.G., Palmen K., Parker P., Passos G., Perring T.G., Peterson P.F., "Mantid—Data analysis and visualization package for neutron scattering and SR experiments", Nuclear Instruments and Methods in Physics Research Section A, 764, 156-166 (2014).

Blankenship T., "Zintl and Intermetallic Phases Grown from Calcium/Lithium Flux", Ph.D. Dissertation, Florida State University (2014).

Blankenship T., Wang X.P., Hoffmann C., Latturner S.E., "LiCa3As2H and Ca14As6X7 (X = C, H, N): Two New Arsenide Hydride Phases Grown from Ca/Li Metal Flux", Inorganic Chemistry, 53, 19, 10620-10626 (2014).

Gunderson W.A., Suess D., Fong H., Wang X.P., Hoffmann C., Cutsail G.E., Peters J.C., Hoffman B.M., "Free H2 Rotation vs Jahn-Teller Constraints in the Non-Classical Trigonal (TBP)Co-H2 Complex", Journal of the American Chemical Society, 136, 42, 14998-15009 (2014).

Joergensen M.R., Hathwar V.R., Sist M., Wang X.P., Hoffmann C., Briseno A.L., Overgaard J., Iversen B.B., "Supporting information for: Accurate Atomic Displacement Parameters from Time-of-Flight Neutron Diffraction Data at TOPAZ", Acta Crystallographica Section A, 70, 679-681 (2014).

Li C.W., Ma J., Cao H.B., May A.F., Abernathy D.L., Ehlers G., Hoffmann C., Wang X.P., Hong T., Huq A., Gourdon O.A., Delaire O., "Anharmonicity and atomic distribution of SnTe and PbTe thermoelectrics", Physical Review B, 90, 214303 (2014).

Liao J., Dhayal R.S., Wang X.P., Kahlal S., Saillard J., Liu C.W., "Neutron Diffraction Studies of a Four-Coordinated Hydride in Near Square-Planar Geometry", Inorganic Chemistry, 53, 20, 11140-11145 (2014).

Liu T., Wang X.P., Hoffmann C., DuBois D.L., Bullock R.M., "Heterolytic Cleavage of Hydrogen by an Iron Hydrogenase Model: An Fe-H ... H-N Dihydrogen Bond Characterized by Neutron Diffraction", Angewandte Chemie International Edition, 53, 21, 5300-5304 (2014).

Michels-Clark T.M., "Methods for quantitative local structure analysis of crystalline materials employing high performance computing", Ph.D. Dissertation, University of Tennessee (2014).

Overgaard J., Walsh J.P., Hathwar V.R., Joergensen M.R., Hoffmann C., Platts J.A., Piltz R., Winpenny R.E., "Relationships between Electron Density and Magnetic Properties in Water-Bridged Dimetal Complexes", Inorganic Chemistry, 53, 21, 11531-11539 (2014).

Schultz A.J., Joergensen M.R., Wang X.P., Mikkelson R.L., Mikkelson D.J., Lynch V.E., Peterson P.F., "Integration of neutron time-of-flight single-crystal Bragg peaks in reciprocal space", Journal of Applied Crystallography, 47, 915-921 (2014).

2013 2 Publications

Janssen Y., Santhanagopalan D., Qian D., Chi M., Wang X.P., Hoffmann C., Meng Y.S., Khalifah P.G., "Reciprocal salt flux growth of LiFePO4 single crystals with controlled defect concentrations", Chemistry of Materials, 25, 22, 4574-4584 (2013).

Pramanick A., Wang X.L., "Characterization of magnetoelastic coupling in ferromagnetic shape memory alloys using neutron diffraction", JOM, 65, 1, 54-64 (2013).

2012 3 Publications

Phelan W.A., "Challenges in the discovery and characterization of magnetic intermetallics", Ph.D. Dissertation, Louisiana State University (2012).

Phelan W.A., Kangas M.J., McCandless G.T., Drake B.L., Haldolaarachchige N., Zhao L.L., Wang J.K., Wang X.P., Young D.P., Morosan E., Hoffmann C., Chan J., "Synthesis, structure, and physical properties of Ln(Cu,Al,Ga)13-x (Ln = La-Pr, and Eu) and Eu(Cu,Al)13-x", Inorganic Chemistry, 51, 19, 10193-10202 (2012).

Pramanick A., Wang X.P., An K., Stoica A.D., Yi J., Gai Z., Hoffmann C., Wang X.L., "Structural modulations and magnetic properties of off-stoichiometric Ni-Mn-Ga magnetic shape memory alloys", Physical Review B, 85, 144412 (2012).

2011 2 Publications

Jogl G., Wang X.P., Mason S.A., Kovalevsky A., Mustyakimov M., Fisher S.Z., Hoffmann C., Kratky C., Langan P., "High resolution neutron crystallographic studies of the hydration of coenzyme cob(11)alamin", Acta Crystallographica Section D, 67, 584-591 (2011).

Zikovsky J., Peterson P.F., Wang X.P., Frost M., Hoffmann C., "CrystalPlan: an experiment-planning tool for crystallography", Journal of Applied Crystallography, 44, 418-423 (2011).