Dynamic Effects on Hole Transport in Amorphous Organic Semiconductors: a Combined QM/MM and kMC Study-Reference-Cited by-同舟云学术

Dynamic Effects on Hole Transport in Amorphous Organic Semiconductors: a Combined QM/MM and kMC Study

Published:2023-06-29 Issue:13 Volume:19 Page:3849-3860
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Deniz Özdemir Ali¹,Inanlou Samaneh²,Symalla Franz³,Xie Weiwei⁴^ORCID,Wenzel Wolfgang¹^ORCID,Elstner Marcus¹²^ORCID

Affiliation:

1. Institute of Nanotechnology, Karlsruhe Institute of Technology (KIT), Hermann-von-Helmholtz-Platz 1, 76344 Eggenstein-Leopoldshafen, Germany

2. Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Kaiserstr. 12, 76131 Karlsruhe, Germany

3. Nanomatch GmbH, Griesbachstr. 5, 76185 Karlsruhe, Germany

4. Renewable Energy Conversion and Storage Center, Haihe Laboratory of Sustainable Chemical Transformations, Key Laboratory of Advanced Energy Materials Chemistry (Ministry of Education), College of Chemistry, Nankai University, Tianjin, 300071, China

Funder

Deutsche Forschungsgemeinschaft

National Natural Science Foundation of China

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c00385

Reference63 articles.

1. Recent progress in flexible organic solar cells

2. High-performance five-ring-fused organic semiconductors for field-effect transistors