Dry reforming of methane over the cobalt catalyst: Theoretical insights into the reaction kinetics and mechanism for catalyst deactivation

[Display omitted] •Active site for the DRM reaction is the step site over Co(211).•The rate-controlling step is CH4 dissociation on both Co(111) and Co(211).•Co(111) is mainly deactivated due to carbon deposition whilst Co(211) undergoes surface oxidization.•Co(111) tends to form surface carbon clus...

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Veröffentlicht in:	Applied catalysis. B, Environmental Environmental, 2020-08, Vol.270, p.118859, Article 118859
Hauptverfasser:	Chen, Shuyue, Zaffran, Jeremie, Yang, Bo
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbon Catalyst deactivation Catalysts Catalytic activity Cobalt Cobalt catalyst Deactivation Density functional theory DFT Dry reforming of methane Methane Reaction kinetics Reaction mechanisms Reforming
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