Publications
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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2009. Interactions between hydrogen impurities and vacancies in Mg and Al: A comparative analysis based on density functional theory.. Phys. Rev. B. 80:184110.
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2009. Mn3+ in Trigonal Bipyramidal Coordination: a New Blue Chromophore. J. Am. Chem. Soc.. 131:17084-17086.
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2009. A pathway to p-type wide-band-gap semiconductors. Appl. Phys. Lett.. 95:172109.
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2009. Point defects in Al2O3 and their impact on gate stacks. Microelectronic Engineering. 86:1756.
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2009. Point defects in Al2O3 and their impact on gate stacks. Microelectronic Engineering. 86:1756.
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2009. Role of Si and Ge as impurities in ZnO. Phys. Rev. B. 80:205113.
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2009. Single-molecule photon emission statistics for systems with explicit time dependence: Generating function approach. J. Chem. Phys.. 131:214107.
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2009. Stability of Si impurity in high-? oxides Microelectronic Engineering. 86:1780.
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2009. Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN. Appl. Phys. Lett.. 95:121111.
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2009. Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN. Appl. Phys. Lett.. 95:121111.
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2009. Superexchange-Driven Magnetoelectricity in Magnetic Vortices. Phys. Rev. Lett.. 102:157203.
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2009. Why nitrogen cannot lead to p-type conductivity in ZnO. Appl. Phys. Lett.. 95:252105.
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2009. Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials. Physica B. Physics of Condensed Matter
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2008. Carbon-nitrogen molecules in GaAs and GaP. Phys. Rev. B. 77:195209.
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2008. Catalysis by very small Au clusters. Current Opinion in Solid State and Materials Science. 11(5-6):62-75.
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2008. CO Oxidation by Rutile TiO2(110) Doped with V, W, Cr, Mo, and Mn. J. Phys. Chem. C. 112:12398.
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2008. Computational Methods in Nanostructure Design: Replica Exchange Simulations of Self-Assembling Peptides. G.Bellesia, S. Lampoudi, S. & J.-E. Shea. 474:9.
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