Dual-atom active sites embedded in two-dimensional C2N for efficient CO2 electroreduction: A computational study

The CO2RR performance of M2@C2N DACs were computationally explored. It is revealed that Caffinity of dual-atom M2 site matters most to CC bond coupling and C2H4 formation while both C- and O-affinity control CH4 formation. [Display omitted] •CO2RR on C2N-supported homo- and heteronuclear DACs were c...

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Veröffentlicht in:	Journal of energy chemistry 2021-10, Vol.61 (C), p.507-516
Hauptverfasser:	Liu, Haimei, Huang, Qingliang, An, Wei, Wang, Yuanqiang, Men, Yong, Liu, Shuang
Format:	Artikel
Sprache:	eng
Schlagworte:	C2N Chemistry CO2 electroreduction Density functional theory Double-atom catalyst Energy & Fuels Engineering Graphene INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
Online-Zugang:	Volltext
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