Design and catalytic performance of Cu/γ-Al2O3 for electrocatalytic methanol oxidation reaction by using density functional theory and molecular dynamics

Ya-Xin Jin,Xin-Yu Zhang,Rui-Xin Zhang,Wen-Jing Wang, Jia-Xuan Zhao,Lei Liu,Wei Huang,Zhi-Jun Zuo

Applied Surface Science（2024）

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摘要

•The interaction between Cu3 and γ-Al2O3(110) is stronger than that between Cu4 and γ-Al2O3(110)•The activity of MOR on Cu3/γ-Al2O3(110) is higher than that on Cu4/γ-Al2O3(110)•High proportion of 2D Cu on γ-Al2O3 is formation with temperatures below 500 K and Cu loading below 21.78 wt%

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关键词

DMFCs,Electrocatalytic MOR,Cu/γ-Al2O3,MD,DFT

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