307 citations
- Centre National de la Recherche ScientifiqueFR20 papers
- Cornell UniversityUS17 papers
- Yale UniversityUS15 papers
- Institut UTINAMFR11 papers
- PARADIM10 papers
- Harvard UniversityUS7 papers
- Lawrence Berkeley National LaboratoryUS7 papers
- SLAC National Accelerator LaboratoryUS7 papers
- University of California, BerkeleyUS7 papers
- Arizona State UniversityUS6 papers
- Leibniz Institute for Crystal GrowthDE6 papers
- Sorbonne UniversitéFR6 papers
Showing 2011 · cond-mat.mtrl-sciShow all
2 papers · 2 filters
cond-mat.mtrl-sci2011★ 74 cited
Hole Localization in Molecular Crystals From Hybrid Density Functional Theory
Na Sai, Paul F. Barbara, Kevin Leung
We use first-principles computational methods to examine hole trapping in organic molecular crystals. We present a computational scheme based on the tuning of the fraction of exact…
cond-mat.mtrl-sci2011★ 29 cited
A Hybrid Density Functional Study of Oligothiophene/ZnO Interface for Photovoltaics
Na Sai, Kevin Leung, James R. Chelikowsky
Organic/inorganic donor-acceptor interfaces are gaining growing attention in organic photovoltaic applications as each component of the interface offers unique attributes. Here we…