DFT investigation of the oxygen reduction reaction over nitrogen (N) doped graphdiyne as an electrocatalyst: the importance of pre-adsorbed OH* and the solvation effect-Reference-Cited by-同舟云学术

DFT investigation of the oxygen reduction reaction over nitrogen (N) doped graphdiyne as an electrocatalyst: the importance of pre-adsorbed OH* and the solvation effect

Published:2023 Issue:24 Volume:4 Page:6542-6552
ISSN:2633-5409
Container-title:Materials Advances
language:en
Short-container-title:Mater. Adv.

Author:

Wang Yuelin¹^ORCID,Pham Thanh Ngoc¹^ORCID,Halim Harry H.¹,Yan Likai²^ORCID,Morikawa Yoshitada¹³^ORCID

Affiliation:

1. Department of Precision Engineering, Graduate School of Engineering, Osaka University, 2-1, Yamada-oka, Osaka 565-0871, Suita, Japan

2. Institute of Functional Material Chemistry, Key Laboratory of Polyoxometalate Science of Ministry of Education, Faculty of Chemistry, Northeast Normal University, Changchun, 130024, P. R. China

3. Research Center for Precision Engineering, Graduate School of Engineering, Osaka University, 2-1 Yamada-oka, Suita 565-0871, Osaka, Japan

Abstract

ORR on OH* preadsorbed sp-N1GDY/G surface with solvation effect has a lower overpotential (0.46 V), which is close to the experiment value (0.36 V).

Funder

Japan Society for the Promotion of Science

Ministry of Education, Culture, Sports, Science and Technology

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science,Chemistry (miscellaneous)

Link

http://pubs.rsc.org/en/content/articlepdf/2023/MA/D3MA00502J