Adsorption and reaction mechanisms of SO 2 on Rh(111) surface: A first-principle study

Dianling Fu,Wenyue Guo,Ming Li,Houyu Zhu,Yunjie Liu

Journal of Molecular Structure（2014）

引用 6|浏览9

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摘要

•Adsorption of reactants, intermediates, and products involved were investigated.•The Mulliken charge and projected density of states were analyzed.•The reactions of SO2 on Rh(111) were discussed.•The reaction mechanism was investigated.

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关键词

Adsorption,Sulfur dioxide,Rh(111),Density functional theory,Density of state

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