Publications

Export 605 results:
2011
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.
Hoang K., Janotti A., Van de Walle C.G.  2011.  The Particle-Size Dependence of the Activation Energy for Decomposition of Lithium Amide.. Angewandte Chemie International Edition. -:inpress.
TL T, AD S, AT F, WR R, AM T.  2011.  Population-Based Resequencing of Experimentally Evolved Populations Reveals the Genetic Basis of Body Size Variation in Drosophila melanogaster. PLoS Genet 7(3): e1001336. doi:10.1371/journal.pgen.1001336. 7(3):e1001336.
Shoemaker DP, Llobet A, Tachibana M, Seshadri R.  2011.  Reverse Monte Carlo neutron scattering study of the’ordered-ice’oxide pyrochlore Pb2Ru2O6. Journal of Physics: Condensed Matter. 23(31):315404.
Janotti A., Van de Walle C.G..  2011.  The role of oxygen-related defects and hydrogen impurities in HfO2 and ZrO2. Microelectronic Engineering. 88(7):1452-1456.
Hur S., Frischknecht A.L, Huber D.L, Fredrickson G.H.  2011.  Self-consistent field simulations of self- and directed-assembly in a mixed polymer brush. Soft Mater.. 7:8776.
Janotti A., Steiauf D., Van de Walle C.G.  2011.  Strain effects on the electronic structure of SrTiO3: Toward high electron mobilities. Phys. Rev. B. 84:201304.
Christen H.M, Nam J.H, Kim H.S, Hatt A.J, Spaldin N.A.  2011.  Stress-induced R-MA-MC-T symmetry changes in BiFeO3 films. Phys. Rev. B. 83:144107.
Schleife A., Varley J.B, Fuchs F., Rödl C., Bechstedt F., Rinke P., Janotti A., Van de Walle C.G.  2011.  Tin dioxide from first principles: Quasiparticle electronic states and optical properties. Phys. Rev. B. 83:35116.
Lesshafft L, Meiburg E, Kneller B, Marsden A.  2011.  Towards inverse modeling of turbidity currents: the inverse lock-exchange problem. Computers & Geosciences. 37(4):521–529.

Pages