Publications
Optimizing optical absorption of TiO2 by alloying with TiS2. Appl. Phys. Lett.. 92:41104.
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2008. Preface to special topic: A survey of some new developments in heterogeneous catalysis. J. Chem. Phys.. 128 (18):art.no.182501.
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2008. Reduction in charged defects associated with oxygen vacancies in hafnia by magnesium incorporation: First-principles study. Appl. Phys. Lett.. 93:223104.
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2008. Role of hydrogen at germanium/dielectric interfaces. Thin Solid Films. Volume 517, Issue 1, Fifth International Conference on Silicon Epitaxy and Heterostructures (ICSI-5):144-147.
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2008. Selective promotion of different modes of methanol adsorption via the cation substitutional doping of a ZnO (101bar0) surface. J. Catalysis. 254(2):325-331.
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2008. Sources of Electrical Conductivity in SnO2. Phys. Rev. Lett.. 101:55502.
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2008. Sources of unintentional n-type conductivity in InN. Appl. Phys. Lett.. 92:32104.
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2008. Structure and stability of amyloid fibrils formed from synthetic beta-peptides. Frontiers in Bioscience. 13(9):6957-6965.
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2008. Vacancy formation and CO adsorption on gold-doped ceria surfaces. Surface Science. 602:2734-2742.
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2008. Variable density and viscosity, miscible displacements in capillary tubes. European Journal of Mechanics - B/Fluids. 27:268-289.
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2008. Amyloid-beta-Protein: Experiment and Theory on the 21-30 Fragment. Phys. Chem. B. 113:6041.
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2009. Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials. Physica B: Condensed Matter. 404(5-7):793.
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2009. Diversity of kinetic pathways in amyloid fibril formation. J. Chem. Phys.. 131:111102.
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2009. Effect of beta-sheet propensity on peptide aggregation.. J. Chem. Phys.. 130:145103.
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2009. The effect of surface tethering on the folding of the src-SH3 protein domain. Phys. Biol.. 6:15004.
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2009. Effects of barium incorporation into HfO2 gate dielectrics on reduction in charged defects: First-principles study. Appl. Phys. Lett.. 94:22903.
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2009. First-principles investigations of F and Cl impurities in NaAlH4. Journal of Alloys and Compounds. 484:247.
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2009. First-principles study of the formation and migration of native defects in NaAlH4. Phys. Rev. B. 80:224102.
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2009. Formation and migration of charged point defects in MgH2: First-principles calculations. Phys. Rev. B. 80:64102.
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2009. Gravity currents impinging on submerged cylinders: flow fields and associated forces. J. Fluid Mech.. 631:65-102.
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2009. Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations. Phys. Rev. B. 79:245206.
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2009. Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations. Phys. Rev. B. 79:245206.
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2009. Hydrogen-related defects and the role of metal additives in the kinetics of complex hydrides: A first-principles study. Phys. Rev. B. 80:214109.
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2009. The interaction of a gravity current with a circular cylinder mounted above a wall: Effect of the gap size. J. Fluid Struct.. 25:629-640.
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