The mechanism of thiophene oxidation on metal-free two-dimensional hexagonal boron nitride
Author:
Affiliation:
1. College of Biology and Chemistry
2. Xingyi Normal University For Nationalities
3. Xingyi
4. P. R. China
5. School of Chemistry and Chemical Engineering
6. Jiangsu University
7. Zhenjiang 212013
8. Institute for Energy Research
9. Zhenjiang
Abstract
DFT calculations reveal the zigzag-N edge site is the most favorable site for thiophene oxidation, followed by the armchair and zigzag-B sites.
Funder
National Natural Science Foundation of China
China Postdoctoral Science Foundation
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2019/CP/C9CP03758F
Reference35 articles.
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