Pressure effects on both fluorescent emission and charge transport properties of organic semiconductors: a computational study

Author:

Zeng Yi1,Shi Wen2ORCID,Peng Qian3,Niu Yingli4,Ma Zhiying5ORCID,Zheng Xiaoyan1ORCID

Affiliation:

1. Key Laboratory of Cluster Science of Ministry of Education, Beijing Key laboratory of Photoelectronic/Electro-photonic Conversion Materials, School of Chemistry and Chemical Engineering, Beijing Institute of Technology, Beijing, 100081, China

2. School of Chemistry, Sun Yat-Sen University, Guangzhou, 510006, China

3. Key Laboratory of Organic Solids, Beijing National Laboratory for Molecular Science (BNLMS), Institute of Chemistry, Chinese Academy of Sciences, Beijing 100190, China

4. School of Science, Beijing Jiaotong University, Beijing 100044, China

5. Engineering Research Center for Nanomaterials, Henan University, Kaifeng 475004, China

Abstract

Pressurization quenches the fluorescence emission of COTh crystals, but is beneficial to their hole transport behavior. The pressure effect on transport and luminescence properties of COTh crystals has been investigated theoretically.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Beijing Municipality

South China University of Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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