Please use this identifier to cite or link to this item: https://hdl.handle.net/2440/118419
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Type: Journal article
Title: Impact of interfacial electron transfer on electrochemical CO₂ reduction on graphitic carbon nitride/doped graphene
Other Titles: Impact of interfacial electron transfer on electrochemical CO(2) reduction on graphitic carbon nitride/doped graphene
Author: Zhi, X.
Jiao, Y.
Zheng, Y.
Qiao, S.Z.
Citation: Small, 2019; 15(10):1804224-1-1804224-7
Publisher: Wiley
Issue Date: 2019
ISSN: 1613-6810
1613-6829
Statement of
Responsibility: 
Xing Zhi, Yan Jiao, Yao Zheng, Shi‐Zhang Qiao
Abstract: Effective electrocatalysts are required for the CO2 reduction reaction (CRR), while the factors that can impact their catalytic activity are yet to be discovered. In this article, graphitic carbon nitride (g-C3 N4 ) is used to investigate the feasibility of regulating its CRR catalytic performance by interfacial electron transfer. A series of g-C3 N4 /graphene with and without heteroatom doping (C3 N4 /XG, XG = BG, NG, OG, PG, G) is comprehensively evaluated for CRR through computational methods. Variable adsorption energetics and electronic structures are observed among different doping cases, demonstrating that a higher catalytic activity originates from more interfacial electron transfer. An activity trend is obtained to show the best catalytic performance of CRR to methane on C3 N4 /XG with an overpotential of 0.45 V (i.e., -0.28 V vs reverse hydrogen electrode [RHE]). Such a low overpotential has never been achieved on any previously reported metallic CRR electrocatalysts, therefore indicating the availability of C3 N4 /XG for CO2 reduction and the applicability of electron transfer modulation to improve CRR catalytic performance.
Keywords: Density functional theory
doped graphene
electrocatalytic CO2 reduction
graphitic carbon nitride
metal-free catalysts
Rights: © 2019 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim
DOI: 10.1002/smll.201804224
Grant ID: http://purl.org/au-research/grants/arc/DP170104464
http://purl.org/au-research/grants/arc/DP160104866
http://purl.org/au-research/grants/arc/DE160101163
http://purl.org/au-research/grants/arc/FL170100154
Published version: http://dx.doi.org/10.1002/smll.201804224
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Chemical Engineering publications

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