Mechanism of CO2 reduction by H2 on Ru(0001) and general selectivity descriptors for late-transition metal catalysts

[Display omitted] •CO2 reduction by H2 on Ru studied with DFT calculations and microkinetic modeling.•CO∗ is common intermediate for competing CH4 and CO production pathways.•CHO* identified as initial hydrogenated intermediate leading to CH4 production.•Rate limiting steps for CO and CH4 production...

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Veröffentlicht in:	Journal of catalysis 2016-11, Vol.343, p.86-96
Hauptverfasser:	Avanesian, Talin, Gusmão, Gabriel S., Christopher, Phillip
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbon dioxide Catalysts CO2 hydrogenation DFT Methanation Microkinetic model Reverse water gas shift Selectivity
Online-Zugang:	Volltext
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