Hole Localization in Molecular Crystals from Hybrid Density Functional Theory

Influence of Structural Dynamics on Polarization Energies in Anthracene Single Crystals

(2010) Nicolas G. Martinelli et al.   Journal of Physical Chemistry C

Intrinsic Charge Trapping in Organic and Polymeric Semiconductors: A Physical Chemistry Perspective

(2010) L. G. Kaake et al.   Journal of Physical Chemistry Letters

Modeling proton transfer and polarons in a molecular crystal diamino-dinitroethylene

(2009) Anna V. Kimmel et al.   PHYSICAL REVIEW B

Polaronic hole localization and multiple hole binding of acceptors in oxide wide-gap semiconductors

(2009) Stephan Lany et al.   PHYSICAL REVIEW B

Hybrid density functional calculations of the band gap ofGaxIn1−xN

(2009) Xifan Wu et al.   PHYSICAL REVIEW B

Microscopic Description of Light Induced Defects in Amorphous Silicon Solar Cells

(2009) Lucas K. Wagner et al.   PHYSICAL REVIEW LETTERS

Polaronic Hole Trapping in DopedBaBiO3

(2009) C. Franchini et al.   PHYSICAL REVIEW LETTERS

Light-assisted deep-trapping of holes in conjugated polymers

(2009) J. C. Bolinger et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Hybrid functionals applied to extended systems

(2008) M Marsman et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Polarization Energies in Oligoacene Semiconductor Crystals

(2008) Joseph E. Norton et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Localization and Delocalization Errors in Density Functional Theory and Implications for Band-Gap Prediction

(2008) Paula Mori-Sánchez et al.   PHYSICAL REVIEW LETTERS

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE