个人简介
Sean Smith received his PhD in theoretical chemistry at the University of Canterbury, New Zealand, in 1989. Following an Alexander von Humboldt Fellowship at the University of Göttingen and postdoctoral research at the University of California, Berkeley, he accepted a faculty position at The University of Queensland, Australia in 1993. He became Professor and Director of the Centre for Computational Molecular Science at UQ in 2002 and in 2006 his laboratory moved to the Australian Institute for Bioengineering and Nanotechnology at UQ. He worked with colleagues in the ARC Center of Excellence for Functional Nanomaterials 2002-2011 as Program Leader (Computational Nanoscience) and Deputy Director (Internationalisation). In 2011, he accepted the position of Director of the US Department of Energy funded Center for Nanophase Materials Sciences (CNMS) at Oak Ridge National Laboratory, one of five major DOE nanoscience research and user facilities in the US. He joined the School of Chemical Engineering at UNSW Australia in 2014. His specific research involves theoretical and computational studies of chemical kinetics; reaction dynamics; catalysis; as well as structure, self-assembly and transport phenomena within nanomaterials, proteins, and hybrid nano-bio systems. He has published over 230 refereed journal papers. In 1998 he was elected Fellow of the RACI. In 2006 he was recipient of a Bessel Research Award of the Alexander von Humboldt Foundation in Germany and in 2012 he was elected Fellow of the American Association for the Advancement of Science (AAAS).
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Tahini HA; Tan X; Schwingenschlögl U; Smith SC, 2016, 'Formation and Migration of Oxygen Vacancies in SrCoO3 and Their Effect on Oxygen Evolution Reactions', ACS Catalysis, vol. 6, no. 8, pp. 5565 - 5570, http://dx.doi.org/10.1021/acscatal.6b00937
Tan HL; Tahini HA; Wen X; Wong RJ; Tan X; Iwase A; Kudo A; Amal R; Smith SC; Ng YH, 2016, 'Interfacing BiVO4 with Reduced Graphene Oxide for Enhanced Photoactivity: A Tale of Facet Dependence of Electron Shuttling', Small, http://dx.doi.org/10.1002/smll.201601536
Tan X; Tahini HA; Smith SC, 2016, 'Materials design for electrocatalytic carbon capture', APL Materials, vol. 4, no. 5, http://dx.doi.org/10.1063/1.4942635
De Luca S; Seal P; Ouyang D; Parekh HS; Kannam SK; Smith SC, 2016, 'Dynamical Interactions of 5-Fluorouracil Drug with Dendritic Peptide Vectors: The Impact of Dendrimer Generation, Charge, Counterions, and Structured Water', The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, vol. 120, no. 25, pp. 5732 - 5743, http://dx.doi.org/10.1021/acs.jpcb.6b00533
Ma Y; Zhang H; Sun Q; Smith SC, 2016, 'New Insights on the Mechanism of Cyclization in Chromophore Maturation of Wild-Type Green Fluorescence Protein: A Computational Study', The Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces and Biophysical, vol. 120, no. 24, pp. 5386 - 5394, http://dx.doi.org/10.1021/acs.jpcb.6b04406
Tan X; Tahini HA; Seal P; Smith SC, 2016, 'First-Principle Framework for Total Charging Energies in Electrocatalytic Materials and Charge-Responsive Molecular Binding at Gas-Surface Interfaces', ACS Applied Materials and Interfaces, vol. 8, no. 17, pp. 10897 - 10903, http://dx.doi.org/10.1021/acsami.6b02117
Tahini HA; Tan X; Lou SN; Scott J; Amal R; Ng YH; Smith SC, 2016, 'Mobile Polaronic States in α-MoO3: An ab Initio Investigation of the Role of Oxygen Vacancies and Alkali Ions', ACS Applied Materials and Interfaces, vol. 8, no. 17, pp. 10911 - 10917, http://dx.doi.org/10.1021/acsami.6b00287
Tan X; Tahini HA; Smith SC, 2016, 'Hexagonal boron nitride and graphene in-plane heterostructures: An experimentally feasible approach to charge-induced switchable CO2 capture', Chemical Physics, http://dx.doi.org/10.1016/j.chemphys.2016.04.001
Tseng A; Pham A; Smith SC; Li S, 2016, 'Tuning conductivity and magnetism in isopolar oxide superlattices via compressive and tensile strain: A case study of SrVO3/SrMnO3 and SrCrO3/SrMnO3 heteros', Journal of Applied Physics, vol. 119, no. 7, http://dx.doi.org/10.1063/1.4942214
Tan X; Kou L; Tahini HA; Smith SC, 2016, 'Charge-modulated permeability and selectivity in graphdiyne for hydrogen purification', Molecular Simulation, vol. 42, no. 6-7, pp. 573 - 579, http://dx.doi.org/10.1080/08927022.2015.1086486
Tahini HA; Cossu F; Singh N; Smith SC; Schwingenschlögl U, 2016, 'Electronic phase transitions under hydrostatic pressure in LaMnO3 (111) bilayers sandwiched between LaAlO3', Physical Review B: Condensed Matter and Materials Physics, vol. 93, no. 3, http://dx.doi.org/10.1103/PhysRevB.93.035117
Kou L; Tan X; Ma Y; Tahini H; Zhou L; Sun Z; Aijun D; Chen C; Smith SC, 2015, 'Tetragonal bismuth bilayer: A stable and robust quantum spin hall insulator', 2D Materials, vol. 2, no. 4, http://dx.doi.org/10.1088/2053-1583/2/4/045010
Tan X; Kou L; Tahini HA; Smith SC, 2015, 'Conductive Graphitic Carbon Nitride as an Ideal Material for Electrocatalytically Switchable CO2 Capture', Scientific Reports, vol. 5, http://dx.doi.org/10.1038/srep17636
Zhou L; Kou L; Sun Y; Felser C; Hu F; Shan G; Smith SC; Yan B; Frauenheim T, 2015, 'New family of quantum spin hall insulators in two-dimensional transition-metal halide with large nontrivial band gaps', Nano Letters: a journal dedicated to nanoscience and nanotechnology, vol. 15, no. 12, pp. 7867 - 7872, http://dx.doi.org/10.1021/acs.nanolett.5b02617
Tan X; Kou L; Tahini HA; Smith SC, 2015, 'Charge-modulated permeability and selectivity in graphdiyne for hydrogen purification', Molecular Simulation, http://dx.doi.org/10.1080/08927022.2015.1086486
Tan X; Kou L; Tahini HA; Smith SC, 2015, 'Charge Modulation in Graphitic Carbon Nitride as a Switchable Approach to High-Capacity Hydrogen Storage', ChemSusChem: chemistry and sustainability, energy and materials, http://dx.doi.org/10.1002/cssc.201501082
Zhu J; Han Y; Kumar R; He Y; Hong K; Bonnesen PV; Sumpter BG; Smith SC; Smith GS; Ivanov IN; Do C, 2015, 'Controlling molecular ordering in solution-state conjugated polymers', Nanoscale, vol. 7, no. 37, pp. 15134 - 15141, http://dx.doi.org/10.1039/c5nr02037a
Tan X; Kou L; Smith SC, 2015, 'Layered Graphene-Hexagonal BN Nanocomposites: Experimentally Feasible Approach to Charge-Induced Switchable CO2 Capture', ChemSusChem: chemistry and sustainability, energy and materials, vol. 8, no. 17, pp. 2987 - 2993, http://dx.doi.org/10.1002/cssc.201500026
Ma Y; Kou L; Li X; Dai Y; Smith SC; Heine T, 2015, 'Quantum spin Hall effect and topological phase transition in two-dimensional square transition-metal dichalcogenides', Physical Review B: Condensed Matter and Materials Physics, vol. 92, no. 8, http://dx.doi.org/10.1103/PhysRevB.92.085427
Kou L; Ma Y; Yan B; Tan X; Chen C; Smith SC, 2015, 'Encapsulated Silicene: A Robust Large-Gap Topological Insulator', ACS Applied Materials and Interfaces, vol. 7, no. 34, pp. 19226 - 19233, http://dx.doi.org/10.1021/acsami.5b05063
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