Density Functional Theory Study on Screening and Key Metrics for Non-Metallic Oxygen Reduction Catalysts

This study systematically investigates the oxygen reduction reaction (ORR) catalytic activity of graphene doped with various non-metallic impurities. The non-metal elements include boron (B), silicon (Si), nitrogen (N), phosphorus (P), arsenic (As), oxygen (O), sulfur (S), selenium (Se), tellurium (...

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Veröffentlicht in:	Chemphyschem 2024-11, p.e202400830
Hauptverfasser:	Wang, Jinlong, Guo, Jinmin, Shao, Weiwei, He, Bingling, Liu, Daping, Song, Wei, Li, Xiao-Chun
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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