Theoretical study of the tuning role of β-methylthio or β-methylselenyl on the charge-transport properties of acenedithiophenes derivatives-Reference-Cited by-同舟云学术

Theoretical study of the tuning role of β-methylthio or β-methylselenyl on the charge-transport properties of acenedithiophenes derivatives

Published:2023 Issue:15 Volume:25 Page:10313-10324
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Li Hui-Yuan¹,Qin Gui-Ya¹,Lin Pan-Pan²,Sun Xiao-Qi³,Fan Jian-Xun⁴,Wang Rui¹,Li Hui¹^ORCID,Zou Lu-Yi¹^ORCID,Guo Jing-Fu³^ORCID,Ren Ai-Min¹^ORCID

Affiliation:

1. Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun, 130023, P. R. China

2. College of Chemistry and Chemistry Engineering, Qiqihar University, Qiqihar, 161006, P. R. China

3. School of Physics, Northeast Normal University, Changchun 130024, P. R. China

4. College of Chemistry and Materials Science, Weinan Normal University, Weinan, 714000, China

Abstract

We investigate the reason why β-methylthio and β-methylselenyl substitution alter the molecular stacking in organic semiconductor crystals, in terms of the intermolecular interaction energy.

Funder

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D3CP00567D

Reference70 articles.

1. Charge Transport in Organic Semiconductors

2. Organic Field-Effect Transistors

3. Organic and Polymeric Semiconductors Enhanced by Noncovalent Conformational Locks

4. Integrated Materials Design of Organic Semiconductors for Field-Effect Transistors

5. Recent Progress in High-Mobility Organic Transistors: A Reality Check

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