DFT Study of Catalytic CO2 Hydrogenation over Pt-Decorated Carbon Nanocones: H2 Dissociation Combined with the Spillover Mechanism

In this work, we investigate the catalytic role of platinum-decorated defective CNC (Pt/dCNC) in CO2 hydrogenation to formic acid (FA) by a density functional theory (DFT) approach. The reaction follows the equation CO2(g) + H2(g) → HCOOH(g). Combining highly reactive Pt atoms with defective CNC pro...

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Veröffentlicht in:	Journal of physical chemistry. C 2020-01, Vol.124 (3), p.1941-1949
Hauptverfasser:	Yodsin, Nuttapon, Rungnim, Chompoonut, Tungkamani, Sabaithip, Promarak, Vinich, Namuangruk, Supawadee, Jungsuttiwong, Siriporn
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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