Publications

Export 605 results:
2011
Van de Walle CG, Janotti A.  2011.  Advances in electronic structure methods for defects and impurities in solids. Phys. Status Solidi B. 248:19.
Yan Q, Rinke P, Winkelnkemper M, Qteish A, Bimberg D, Scheffler M, Van de Walle CG.  2011.  Band parameters and strain effects in ZnO and group-III nitrides. Semicond. Sci. Technol.. 26:14037.
Sharma S, Hu Z, Zhang P, McFarland EW, Metiu H.  2011.  CO2 methanation on Ru-doped ceria. Journal of Catalysis. 278:297–309.
Brown FLH.  2011.  Continuum simulations of biomembrane dynamics and the importance of hydrodynamic effects. Quarterly Reviews of Biophysics. 1-Jul-11:-.
Knappschneider A, Litterscheid C, Kurzman JA, Seshadri R, Albert B.  2011.  Crystal structure refinement and bonding patterns of CrB4: a boron-rich boride with a framework of tetrahedrally coordinated B atoms.. Inorganic Chemistry. 50(21):10540–10542.
Weber J.R, Koehl W.F, Varley J.B, Janotti A., Bucley B.B, Van de Walle C.G., Awschalom D.D.  2011.  Defects in SiC for quantum computing. J. Appl. Phys.. 109:102417.
Camley BA, Brown FLH.  2011.  Dynamic scaling in phase separation kinetics for quasi-two-dimensional membranes. J. Chem. Phys. 135(22):225106.
Hu Z, Metiu H.  2011.  Effect of Dopants on the Energy of Oxygen-Vacancy Formation at the Surface of Ceria: Local or Global? Journal of Physical Chemistry C. 115(36):17898–17909.
Tong H, Umezawa N, Ye J, Ohno T.  2011.  Electronic coupling assembly of semiconductor nanocrystals: self-narrowed band gap to promise solar energy utilization. Energy Environ. Sci. 4:1684.
Chrétien S, Metiu H.  2011.  The electronic structure of the partially reduced rutile TiO2(110) surface: where are the unpaired electrons located? J. Phys. Chem.. 115:4696.
Kurzman JA, Miao M-S, Seshadri R.  2011.  Hybrid functional electronic structure of PbPdO2, a small-gap semiconductor. J. Phys.: Condens. Matte. 23:465501.
Varley J.B., Peelaers H., Janotti A., Van de Walle C.G..  2011.  Hydrogenated cation vacancies in semiconducting oxides. J. Phys.: Condens. Matter. 23:334212.
Vermaak N, Valdevit L, Evans AG, Zok FW, McMeeking RM.  2011.  Implications of Shakedown for Design of Actively Cooled Thermostructural Panels. Journal of Mechanics of Materials and Structures. 6:1313.
Kioupakis E, Rinke P, Delaney KT, Van de Walle CG.  2011.  Indirect Auger recombination as a cause of efficiency droop in nitride LEDs. Appl. Phys. Lett.. 98:161107.
Janotti A, Van de Walle CG.  2011.  LDA and hybrid functional calculations for defects in ZnO, SnO2, and TiO2. Physica Status Solidi (b). 248:799.
Varley J.B, Janotti A., Van de Walle C.G.  2011.  Mechanism of Visible-Light Photocatalysis in Nitrogen-Doped TiO2. Advanced Materials. 23:2343-2347.
Oliveira RM, Meiburg E.  2011.  Miscible displacements in Hele-Shaw cells: three-dimensional Navier–Stokes simulations. Journal of Fluid Mechanics. 687:431–460.
Weber J.R, Janotti A., Van de Walle C.G.  2011.  Native defects in Al2O3 and their impact on III-V/Al2O3 metal-oxide-semiconductor-based devices. Journal of Applied Physics. 109(3):33715.
Kurzman JA, Moffitt SL, Llobet A, Seshadria R.  2011.  Neutron diffraction study of La4LiAuO8: Understanding Au3+ in an oxide environment. Journal of Solid State Chemistry. 184:1439.
Bleiholder C., Wyttenbach T., Bowers M.T.  2011.  A novel projection approximation algorithm for the fast and accurate computation of molecular collision cross sections. Int. J. Mass Spectrom. -:inpress.

Pages