Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)-Tuned Range-Separated Density Functional Approach-Reference-Cited by-同舟云学术

Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)-Tuned Range-Separated Density Functional Approach

Published:2016-05-26 Issue:6 Volume:12 Page:2906-2916
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Sun Haitao¹²,Ryno Sean¹,Zhong Cheng¹,Ravva Mahesh Kumar¹,Sun Zhenrong²,Körzdörfer Thomas³,Brédas Jean-Luc¹

Affiliation:

1. Solar & Photovoltaics Engineering Research Center, Physical Science and Engineering Division, King Abdullah University of Science and Technology (KAUST), Thuwal 23955-6900, Kingdom of Saudi Arabia

2. State Key Laboratory of Precision Spectroscopy, School of Physics and Materials Science, East China Normal University (ECNU), Shanghai 200062, People’s Republic of China

3. Institut für Chemie, Universität Potsdam, Potsdam 14476, Germany

Funder

King Abdullah University of Science and Technology

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.6b00225

Reference96 articles.

1. Introduction: Organic Electronics and Optoelectronics

2. Charge Transport in Organic Semiconductors