Publications

CSC research acknowledged in publications and presentations.

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Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 2308708) at UC Santa Barbara.

Selected Publications

2012

Does Halogen Adsorption Activate the Oxygen Atom on an Oxide Surface? I. A Study of Br 2 and HBr Adsorption on La 2 O 3 and La 2 O 3 Doped with Mg or Zr
Li, B., & Metiu, H. (2012). Does Halogen Adsorption Activate the Oxygen Atom on an Oxide Surface? I. A Study of Br 2 and HBr Adsorption on La 2 O 3 and La 2 O 3 Doped with Mg or Zr. Journal Of Physical Chemistry C, 116, 4137\textendash4148. https://doi.org/10.1021/jp209857s (Original work published 02/2012 C.E.)
Effects of doping on the lattice parameter of SrTiO3
Janotti, A., Jalan, B., Stemmer, S., & Van de Walle, C. G. (2012). Effects of doping on the lattice parameter of SrTiO3. Appl. Phys. Lett., 100, 262104.
Electron-phonon interactions in double layer graphene superfluids
Estrada, Z., & Gilbert, M. J. (2012). Electron-phonon interactions in double layer graphene superfluids. Illinois Digital Environment For Access To Learning And Scholarship, http://hdl.handle.net/2142/34248.
Enhanced thermoelectric properties of bulk TiNiSn via formation of TiNi2Sn secondary phase
Douglas, J. E., Birkel, C. S., Miao, M. -S., Torbet, C. J., Stucky, G. D., Pollock, T. M., & Seshadri, R. (2012). Enhanced thermoelectric properties of bulk TiNiSn via formation of TiNi2Sn secondary phase. Applied Physics Letters, 101, 183902. https://doi.org/10.1063/1.4765358 (Original work published 11/2012 C.E.)
A Flexible Open-Source Toolbox for Scalable Complex Graph Analysis
Lugowski, A., Alber, D., Buluc, A., Gilbert, J., Reinhardt, S., Teng, Y., & Waranis, A. (2012). A Flexible Open-Source Toolbox for Scalable Complex Graph Analysis. Siam Conference On Data Mining (Sdm), in press.
Fundamental limits on optical transparency of transparent conducting oxides: Free-carrier absorption in SnO2
Peelaers, H., Kioupakis, E., & Van de Walle, C. G. (2012). Fundamental limits on optical transparency of transparent conducting oxides: Free-carrier absorption in SnO2. Applied Physics Letters, 100, 011914-011914.
A green-yellow emitting oxyfluoride solid solution phosphor Sr2Ba (AlO4F) 1- x (SiO5) x: Ce3+ for thermally stable, high color rendition solid state white lighting
Denault, K., Paden, S., Brinkley, S., Mikhailovsky, A. A., Neuefeind, J. C., DenBaars, S. P., & Seshadri, R. (2012). A green-yellow emitting oxyfluoride solid solution phosphor Sr2Ba (AlO4F) 1- x (SiO5) x: Ce3+ for thermally stable, high color rendition solid state white lighting. Journal Of Materials Chemistry, 22, 18204.
Halogen Adsorption on CeO2: The Role of Lewis Acidä\ o\~nBase Pairing
Hu, Z., & Metiu, H. (2012). Halogen Adsorption on CeO2: The Role of Lewis Acidä\ o\~nBase Pairing. The Journal Of Physical Chemistry C, 116(11), 6664-6671.
Impact of particle size ratio and volume fraction on effective material parameters and performance in solid oxide fuel cells.
Völker, B., & McMeeking, R. M. (2012). Impact of particle size ratio and volume fraction on effective material parameters and performance in solid oxide fuel cells. Journal Of Power Sources, 215, 199-215.
Improved models for cosmic infrared background anisotropies: new constraints on the infrared galaxy population
Shang, C., Haiman, Z. \ an, Knox, L., & Oh, P. (2012). Improved models for cosmic infrared background anisotropies: new constraints on the infrared galaxy population. Monthly Notices Of The Royal Astronomical Society, 421, 2832-2845.
Interlayer transport in disordered semiconductor electron bilayers
Kim, Y., Dellabetta, B., & Gilbert, M. J. (2012). Interlayer transport in disordered semiconductor electron bilayers. Journal Of Physics: Condensed Matter, 24(35), 355301.
Interplay between strain and oxygen vacancies in lanthanum aluminate
Sayre, J. D., Delaney, K. T., & Spaldin, N. A. (2012). Interplay between strain and oxygen vacancies in lanthanum aluminate. Retrieved de http://arxiv.org/abs/1202.1431 (Original work published 02/2012 C.E.)
Interplay of polarization fields and Auger recombination in the efficiency droop of nitride light-emitting diodes
Kioupakis, E., Yan, Q., & Van de Walle, C. G. (2012). Interplay of polarization fields and Auger recombination in the efficiency droop of nitride light-emitting diodes. Applied Physics Letters, 101(23), 231107-231107.
Investigating Natural Variation in Drosophila Courtship Song by the Evolve and Resequence Approach
Turner, T. L., & Miller, P. M. (2012). Investigating Natural Variation in Drosophila Courtship Song by the Evolve and Resequence Approach. Genetics, 191, 633.
Investigations of phase instabilities and many-body physics in charge-stabilized colloidal dispersions
Karmis, A. A. (2012). Investigations of phase instabilities and many-body physics in charge-stabilized colloidal dispersions. Proquest Dissertations And Theses, 199. Retrieved de http://search.proquest.com/docview/1237816219?accountid=14522
Mechanism for the decomposition of lithium borohydride
Hoang, K., & Van de Walle, C. G. (2012). Mechanism for the decomposition of lithium borohydride. International Journal Of Hydrogen Energy, 37, 5825.
Mechanisms for the decomposition and dehydrogenation of Li amide/imide
Hoang, K., Janotti, A., & Van de Walle, C. G. (2012). Mechanisms for the decomposition and dehydrogenation of Li amide/imide. Phys. Rev. B, 85, 64115.
Metal-to-Multilayer-Graphene Contact - Part II: Analysis of Contact Resistance
Khatami, Y., Li, H., Xu, C., & Banerjee, K. (2012). Metal-to-Multilayer-Graphene Contact - Part II: Analysis of Contact Resistance. Ieee Transactions On Electron Devices, 59, 2453-2460.
N-Alkyldinaphthocarbazoles, Azaheptacenes, for Solution-Processed Organic Field-Effect Transistors
Pho, T., Yuen, J. D., Kurzman, J. A., Smith, B. G., Miao, M., Walker, W. T., et al. (2012). N-Alkyldinaphthocarbazoles, Azaheptacenes, for Solution-Processed Organic Field-Effect Transistors. Journal Of The American Chemical Society, 134(44), 18185\textendash18188. https://doi.org/10.1021/ja3082582
Nanoscale quantification of octahedral tilts in perovskite films
Hwang, J., Zhang, J. Y., Son, J., & Stemmer, S. (2012). Nanoscale quantification of octahedral tilts in perovskite films. Applied Physics Letters, 100, 191909.