A method to explore the quantitative interactions between metal and ceria for M/CeO 2 catalysts

Kong-Jie Zhu,Jie Liu,Yan-Ju Yang,Yu-Xing Xu,Bo-Tao Teng,Xiao-Dong Wen,Maohong Fan

Surface Science（2018）

引用 8|浏览8

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摘要

•A method to quantitatively explore the metal interactions with ceria is proposed.•Quantitative interaction energy between metal and ceria is firstly established.•Two parameters (Ep and θdiff) are proposed in this work.•The higher θdiff, the weaker Ep, and the longer MO bond.•Orbital hybridization of surface O plays key role in metal interaction with ceria.

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关键词

Density functional theory,Metal,Ceria,Surface structure,Quantitative relationship

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