Fast prediction of oxygen reduction reaction activity on carbon nanotubes with a localized geometric descriptor
Author:
Affiliation:
1. School of Physical Science and Technology
2. ShanghaiTech University
3. Shanghai 201210
4. China
Abstract
By using the pyramidalization angle as a localized geometric descriptor for oxygen reduction reaction (ORR) activity of carbon nanotubes (CNTs), we show the ORR activity of these systems can be readily predicted with mere structural optimization of CNTs.
Funder
Shanghai Municipal Education Commission
ShanghaiTech University
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/C9CP04885E
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