Nonadiabatic Molecular Dynamics Modeling of the Intrachain Charge Transport in Conjugated Diketopyrrolo-pyrrole Polymers-Reference-Cited by-同舟云学术

Nonadiabatic Molecular Dynamics Modeling of the Intrachain Charge Transport in Conjugated Diketopyrrolo-pyrrole Polymers

Published:2014-03-21 Issue:13 Volume:118 Page:6631-6640
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Gao Xing¹,Geng Hua²,Peng Qian²,Ren Jiajun¹,Yi Yuanping²,Wang Dong¹,Shuai Zhigang¹²

Affiliation:

1. MOE Key Laboratory of Organic OptoElectronics and Molecular Engineering, Department of Chemistry, Tsinghua University, Beijing, 100084, People’s Republic of China

2. Key Laboratory of Organic Solids, Beijing National Laboratory for Molecular Science (BNLMS), Institute of Chemistry, Chinese Academy of Sciences, Beijing, 100190, People’s Republic of China

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/jp412782n

Reference65 articles.

1. Charge Transport in Organic Semiconductors

2. The path to ubiquitous and low-cost organic electronic appliances on plastic

3. Molecular Semiconductors in Organic Photovoltaic Cells

4. Evaluation of Charge Mobility in Organic Materials: From Localized to Delocalized Descriptions at a First-Principles Level

5. A stable solution-processed polymer semiconductor with record high-mobility for printed transistors

Cited by 32 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Band Versus Hopping Transport in Conducting Polymers by Ab Initio Molecular Dynamics: Exploring the Effect of Electric Field, Trapping and Temperature;Advanced Electronic Materials;2024-09-11

2. Nonadiabatic Exciton Dynamics and Energy Gradients in the Framework of FMO-LC-TDDFTB;Journal of Chemical Theory and Computation;2024-07-25

3. Charge carrier dynamics in conducting polymer PEDOT using ab initio molecular dynamics simulations;The Journal of Chemical Physics;2023-10-16

4. Learning Decoherence Time Formulas for Surface Hopping from Quantum Dynamics;The Journal of Physical Chemistry Letters;2023-08-22

5. Nonadiabatic molecular dynamics simulations based on time-dependent density functional tight-binding method;The Journal of Chemical Physics;2022-08-28