A quantum-chemical DFT study of CO dissociation on Fe-promoted stepped Rh surfaces

作者：Filot Ivo A W; Fariduddin Farid; Broos Robin J P; Zijlstra Bart; Hensen Emiel J M

来源：Catalysis Today, 2016, 275: 111-118.

DOI：10.1016/j.cattod.2015.10.009

• Fischer–Tropsch
• Rhodium
• Iron
• CO dissociation
• DFT

Abstract(#br)The present density functional theory study provides insight into the effect of Fe promotion on the CO dissociation reaction on a stepped Rh surface. On the basis of a density of states analysis we demonstrate that Fe is able to promote the CO dissociation reaction by stabilizing the ox...

• 出版日期2016-10-15