Atomic‐Level Modulation of Electronic Density at Cobalt Single‐Atom Sites Derived from Metal–Organic Frameworks: Enhanced Oxygen Reduction Performance

Demonstrated here is the correlation between atomic configuration induced electronic density of single‐atom Co active sites and oxygen reduction reaction (ORR) performance by combining density‐functional theory (DFT) calculations and electrochemical analysis. Guided by DFT calculations, a MOF‐derive...

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Bibliographic Details
Published in:Angewandte Chemie International Edition 2021-02, Vol.60 (6), p.3212-3221
Main Authors: Chen, Yuanjun, Gao, Rui, Ji, Shufang, Li, Haijing, Tang, Kun, Jiang, Peng, Hu, Haibo, Zhang, Zedong, Hao, Haigang, Qu, Qingyun, Liang, Xiao, Chen, Wenxing, Dong, Juncai, Wang, Dingsheng, Li, Yadong
Format: Article
Language:English
Subjects:
Catalysts
Chemical reduction
Cobalt
density-functional calculations
Electrocatalysts
Electrochemical analysis
Electrochemistry
heterogeneous catalysis
Kinetics
Mathematical analysis
Metal-organic frameworks
Oxygen
oxygen reduction
Oxygen reduction reactions
Single atom catalysts
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