DFT study on dry reforming of methane over Ni 2 Fe overlayer of Ni(1 1 1) surface

Li-li Xu,Hong Wen,Xin Jin,Qi-ming Bing,Jing-yao Liu

Applied Surface Science（2018）

引用 48|浏览23

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摘要

•A systematically investigation of DRM mechanism on Ni2Fe overlayer was studied.•The mechanism of FeO oxidation C was proposed.•Carbon deposition is effectively controlled.•The result explains the role of Fe in Ni-based DRM catalysts during DRM reaction.

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关键词

CO2 reforming of methane,NiFe alloy,Density functional theory,Reaction mechanism

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