Calculation of excited states of monolayer TPPA-COF based on first principles-Reference-Cited by-同舟云学术

Calculation of excited states of monolayer TPPA-COF based on first principles

Published:2023 Issue:35 Volume:25 Page:23678-23684
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Tang Xudong¹,Liu Yani²,Li Mingyang³⁴,Ding Wangyang⁵,Chen Haihua⁵,Wei Wenjuan³⁵^ORCID,Li Jiayu⁵

Affiliation:

1. Guangxi University of Science and Technology, Liuzhou, Guangxi, 545006, P. R. China

2. Key Laboratory of Water Pollution Control Technology, Hunan Research Academy of Environmental Sciences, Changsha 410004, China

3. Department of Chemistry, Tsinghua University, Beijing 100084, China

4. Nanjing University, Nanjing, Jiangsu 21000, P. R. China

5. Center on Nanoenergy Research, School of Physical Science and Technology, Guangxi University, Nanning, Guangxi 530004, P. R. China

Abstract

The electron and hole distribution in the excited states of monolayer TPPA-COF are obtained by first principles calculation, and the ultraviolet-visible spectra were simulated to confirm the excellent light absorption characteristics of the COF.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Jiangxi Province

Education Department of Jiangxi Province

Fundamental Research Funds for the Central Universities

Jiangxi University of Science and Technology

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/D3CP00578J

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