Xiaoping Wang

Xiaoping Wang

Xiaoping Wang

Scientist, TOPAZ Instrument Point of Contact


Dr. Xiaoping Wang received his Ph.D. degree in inorganic chemistry from Texas A&M University in 1998, where he did his graduate work with Professor F. Albert Cotton. He then undertook postdoctoral research in neutron crystallography at Argonne National Laboratory. He was the director for crystallographic computing in the Laboratory for Molecular Structure and Bonding at Texas A&M University from December 2001 to May 2006; the director of X-Ray Diffraction Laboratory at University of North Texas from June 2006 to July 2008, and has been appointed as adjunct professor in the chemistry department. He joined ORNL in August 2008 as an instrument scientist for the TOPAZ single crystal diffractometer (SNS Beamline-12). Dr. Wang was chair-elect (2006) and chair (2007) of Small Molecule SIG of the American Crystallographic Association. He has served on the review board of  IUCr journal Acta Cryst. CStructural Chemistry since 2016. His research interests include chemical crystallography, 3D single-crystal diffraction using neutron wavelength-resolved Laue techniques, inorganic-organic hybrid perovskites, organometallics, hydrogen bonding interactions in energy materials, structural and magnetic phase transitions. 

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Selected Publications

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, 1705801 (2018). Highlighted by multiple news outlets since first published on April 16,2018: New study reveals key role of hydrogen bonding in perovskite solar cells.

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). Received the 2018 Organometallics Distinguished Author Award on April 14, 2018.

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). 

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). Highlighted as journal cover page.

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). Highlighted online by DOE Basic Energy Sciences: Defects, Electrons, and a Long-Standing Controversy

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).

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).

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).

Liao J., Dhayal R.S., Wang X.P., Kahal 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). Highlighted as journal Frontpiece.

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).

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).

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