Publications

Found 355 results
Author Title Type [ Year(Asc)]
2009
Wilson-Short G.B., Janottia A., Pelesa A., Van de Walle CG.  2009.  First-principles investigations of F and Cl impurities in NaAlH4. Journal of Alloys and Compounds. 484:247.
Wilson-Short GB, Janotti A, Hoang K, Peles A, Van de Walle CG.  2009.  First-principles study of the formation and migration of native defects in NaAlH4. Phys. Rev. B. 80:224102.
Park MSik, Janotti A, Van de Walle CG.  2009.  Formation and migration of charged point defects in MgH2: First-principles calculations. Phys. Rev. B. 80:64102.
Gonzalez-Juez E.D, Meiburg E., Constantinescu S.G.  2009.  Gravity currents impinging on submerged cylinders: flow fields and associated forces. J. Fluid Mech.. 631:65-102.
Varley J.B, Janotti A., Singh A.K, Van de Walle C.G.  2009.  Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations. Phys. Rev. B. 79:245206.
Varley J.B, Janotti A., Singh A.K, Van de Walle C.G.  2009.  Hydrogen interactions with acceptor impurities in SnO2: First-principles calculations. Phys. Rev. B. 79:245206.
Hoang K, Van de Walle CG.  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.
Gonzalez-Juez E.D, Meiburg E., . E, Constantinescu S.G.  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.
Ismer L, Park MSik, Janotti A, Van de Walle CG.  2009.  Interactions between hydrogen impurities and vacancies in Mg and Al: A comparative analysis based on density functional theory.. Phys. Rev. B. 80:184110.
Smith A., Mizoguchi H., Delaney KT, Spaldin N.A, Sleight A., Subramanian M.A.  2009.  Mn3+ in Trigonal Bipyramidal Coordination: a New Blue Chromophore. J. Am. Chem. Soc.. 131:17084-17086.
Janotti A, Snow E, Van de Walle CG.  2009.  A pathway to p-type wide-band-gap semiconductors. Appl. Phys. Lett.. 95:172109.
Weber J.R., Janotti A., Van de Walle C.G..  2009.  Point defects in Al2O3 and their impact on gate stacks. Microelectronic Engineering. 86:1756.
Weber J.R., Janotti A., Van de Walle C.G..  2009.  Point defects in Al2O3 and their impact on gate stacks. Microelectronic Engineering. 86:1756.
Lyons J.L, Janotti A., Van de Walle C.G.  2009.  Role of Si and Ge as impurities in ZnO. Phys. Rev. B. 80:205113.
Peng Y, Xie S, Zheng Y, Brown FLH.  2009.  Single-molecule photon emission statistics for systems with explicit time dependence: Generating function approach. J. Chem. Phys.. 131:214107.
Umezawa N., Shiraishi K., Chikyow T..  2009.  Stability of Si impurity in high-? oxides Microelectronic Engineering. 86:1780.
Yan Q, Rinke P, Scheffler M, Van de Walle CG.  2009.  Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN. Appl. Phys. Lett.. 95:121111.
Yan Q, Rinke P, Scheffler M, Van de Walle CG.  2009.  Strain effects in group-III nitrides: Deformation potentials for AlN, GaN, and InN. Appl. Phys. Lett.. 95:121111.
Delaney K.T, Mostovoy M., Spaldin N.A.  2009.  Superexchange-Driven Magnetoelectricity in Magnetic Vortices. Phys. Rev. Lett.. 102:157203.
Lyons J.L, Janotti A., Van de Walle C.G.  2009.  Why nitrogen cannot lead to p-type conductivity in ZnO. Appl. Phys. Lett.. 95:252105.
2008
Van de Walle C.G, Pelesa A., Janottia A., Wilson-Shorta G.B..  2008.  Atomic and electronic structure of hydrogen-related centers in hydrogen storage materials. Physica B. Physics of Condensed Matter
Limpijumnong S., Reunchan P., Janotti A., Van de Walle C.G.  2008.  Carbon-nitrogen molecules in GaAs and GaP. Phys. Rev. B. 77:195209.
Chrétien S., Buratto S.K, Metiu H..  2008.  Catalysis by very small Au clusters. Current Opinion in Solid State and Materials Science. 11(5-6):62-75.
Kim HYou, Lee HMo, Pala R.GS, Shapovalov V., Metiu H..  2008.  CO Oxidation by Rutile TiO2(110) Doped with V, W, Cr, Mo, and Mn. J. Phys. Chem. C. 112:12398.
Bellesia G., Lampoudi S., . S, Shea J.-E..  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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