Influence of nonmetal dopants on charge separation of graphitic carbon nitride by time-dependent density functional theory
Author:
Affiliation:
1. Department of Chemical Engineering
2. Chung Yuan Christian University
3. Taoyuan City
4. Taiwan
5. Luh Hwa Research Center for Circular Economy
6. Institute of Atomic and Molecular Sciences
7. Academia Sinica
8. Taipei
Abstract
We examined the charge separation performance of phosphorus-, oxygen-, and sulfur-doped g-C3N4 by using time dependent density functional theory and wave function analysis.
Funder
Ministry of Science and Technology, Taiwan
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2020/CP/C9CP06175D
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