期刊论文

Tang, ZK

英文

Materials Today Communications

2352-4928

2024

38

107800

10.1016/j.mtcomm.2023.107800

CRediT authorship contribution statement Liang Zheng: Data curation, Investigation, Methodology. Sun Dong-Yin: Data curation, Investigation, Methodology. Cao Lie-Mao: Formal analysis, Validation. Cong Bao-Tong: Data curation, Formal analysis, Investigation, Methodology, Writing – original draft. Zhao Wen-Hui: Data curation, Validation, Investigation, Methodology. Deng Xiao-Hui: Formal analysis, Validation. Tang Zhen-Kun: Conceptualization, acquisition, Investigation, Methodology, Project administration, Resources, Software,

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Developing high-efficiency electrocatalysts for the oxygen evolution reaction (OER) remains a crucial bottleneck on the way to the water splitting for producing clean fuel (H2). Compared with single atom catalysis (SACs), dualatom catalysts (DACs) have attracted great interest due to higher OER catalytic efficiency. In this work, the OER properties of dual-metal-N4 embedding armchair single-walled carbon nanotubes (D-MN4/CNTs) were systematic studied by density functional theory (DFT) simulations. Our results indicate that CoN4 embedding armchair CNTs exhibit higher OER activity than the corre...