Graphyne-based single atom catalysts for the oxygen reduction reaction: a constant-potential first-principles study

We investigated the electrocatalytic ORR performance of M-GY and N-doped M-GY by using constant-potential first-principles calculations. Among them, N 0 -Co-GY exhibited superior ORR performance both in acidic and alkaline environments.

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Publication Details

Journal
Journal of Materials Chemistry A
Published
2025-01-01
DOI
https://doi.org/10.1039/d5ta02772a
Citations
7
Primary Topic
Electrocatalysts for Energy Conversion
Type
article
Field-Weighted Citation Impact
2.54

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article

Graphyne-based single atom catalysts for the oxygen reduction reaction: a constant-potential first-principles study

Mengmeng Shao, Yangfan Shao
7 citations
Journal of Materials Chemistry A
Electrocatalysts for Energy Conversion
2.54
article

Graphyne-based single atom catalysts for the oxygen reduction reaction: a constant-potential first-principles study

Mengmeng Shao, Yangfan Shao
article en
7 citations

Abstract

We investigated the electrocatalytic ORR performance of M-GY and N-doped M-GY by using constant-potential first-principles calculations. Among them, N 0 -Co-GY exhibited superior ORR performance both in acidic and alkaline environments.

Journal of Materials Chemistry AVol. 13(27)
Dongguan University of Technology (CN), Tsinghua University (CN)
National Natural Science Foundation of China
Openalex Percentile: Top 10%
Electrocatalysts for Energy Conversion
2.54
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