Computational screening of transition-metal single atom doped C 9 N 4 monolayers as efficient electrocatalysts for water splitting
Abstract
Ni@C 9 N 4 performs as a promising bifunctional electrocatalyst with N and Ni atoms as the catalytic active sites for HER and OER, with calculated hydrogen adsorption Gibbs free energy (Δ G H* ) of −0.04 eV and OER overpotential ( η OER ) of 0.31 V.
- Authors:
-
[1];
[3];
- School of Chemical Engineering, Sichuan University, Chengdu, China, Materials Science Division
- Materials Science Division, Lawrence Berkeley National Laboratory, Berkeley, USA
- School of Chemical Engineering, Sichuan University, Chengdu, China
- Publication Date:
- Sponsoring Org.:
- USDOE
- OSTI Identifier:
- 1566897
- Resource Type:
- Publisher's Accepted Manuscript
- Journal Name:
- Nanoscale
- Additional Journal Information:
- Journal Name: Nanoscale Journal Volume: 11 Journal Issue: 39; Journal ID: ISSN 2040-3364
- Publisher:
- Royal Society of Chemistry (RSC)
- Country of Publication:
- United Kingdom
- Language:
- English
Citation Formats
Zhou, Yanan, Gao, Guoping, Kang, Jun, Chu, Wei, and Wang, Lin-Wang. Computational screening of transition-metal single atom doped C 9 N 4 monolayers as efficient electrocatalysts for water splitting. United Kingdom: N. p., 2019.
Web. doi:10.1039/C9NR05991A.
Zhou, Yanan, Gao, Guoping, Kang, Jun, Chu, Wei, & Wang, Lin-Wang. Computational screening of transition-metal single atom doped C 9 N 4 monolayers as efficient electrocatalysts for water splitting. United Kingdom. https://doi.org/10.1039/C9NR05991A
Zhou, Yanan, Gao, Guoping, Kang, Jun, Chu, Wei, and Wang, Lin-Wang. Thu .
"Computational screening of transition-metal single atom doped C 9 N 4 monolayers as efficient electrocatalysts for water splitting". United Kingdom. https://doi.org/10.1039/C9NR05991A.
@article{osti_1566897,
title = {Computational screening of transition-metal single atom doped C 9 N 4 monolayers as efficient electrocatalysts for water splitting},
author = {Zhou, Yanan and Gao, Guoping and Kang, Jun and Chu, Wei and Wang, Lin-Wang},
abstractNote = {Ni@C 9 N 4 performs as a promising bifunctional electrocatalyst with N and Ni atoms as the catalytic active sites for HER and OER, with calculated hydrogen adsorption Gibbs free energy (Δ G H* ) of −0.04 eV and OER overpotential ( η OER ) of 0.31 V.},
doi = {10.1039/C9NR05991A},
journal = {Nanoscale},
number = 39,
volume = 11,
place = {United Kingdom},
year = {Thu Oct 10 00:00:00 EDT 2019},
month = {Thu Oct 10 00:00:00 EDT 2019}
}
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https://doi.org/10.1039/C9NR05991A
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