DFT study of the formate formation on Ni(111) surface doped by transition metals [Ni(111)-M; M=Cu, Pd, Pt, Rh]

We report on a theoretical study of the formation of formate (HCOO) from the reaction of CO2 gas and a pre- adsorbed H atom (CO2 (g) + *H → *HCOO) on Ni(111) surface doped by transition-metals [Ni(111)-M; M= Cu, Pd, Pt, Rh] by means of density functional theory (DFT) calculations. This *HCOO formati...

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Veröffentlicht in:	Journal of physics. Conference series 2016-08, Vol.739 (1), p.12082
Hauptverfasser:	Nugraha, Saputro, A G, Agusta, M K, Rusydi, F, Maezono, R, Dipojono, H K
Format:	Artikel
Sprache:	eng
Schlagworte:	Carbon dioxide Copper Density functional theory Nickel Palladium Physics Platinum Rhodium Transition metals
Online-Zugang:	Volltext
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