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- Tungkamani, Sabaithip, et al. Show all 6 Authors
- Journal of physical chemistry 2019 v.124 no.3 pp. 1941-1949
- carbon; carbon dioxide; catalysts; catalytic activity; density functional theory; desorption; dissociation; energy; equations; formates; formic acid; hydrogen; hydrogenation; platinum
- ... 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 provides Pt/dCNC, a reactive monodispersed atomic catalyst for CO₂ hydrogenation. We propose our new me ...