Understanding electro-catalysis by using density functional theory
Author:
Affiliation:
1. Key Laboratory of Automobile Materials
2. Ministry of Education, and School of Materials Science and Engineering
3. Jilin University
4. Changchun 130022
5. China
Abstract
DFT calculations are indispensable for understanding the electro-catalysis through explanation of the experimental phenomena, prediction of experimental results, and guiding of the experimental investigation.
Funder
National Natural Science Foundation of China
Program for Jilin University Science and Technology Innovative Research Team
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/C9CP04430B
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