Density Functional Theory Investigation of Glucose Oxidation on Au Surfaces

被引：0

作者：

Wang, Yingying ^{[1
]}

Yu, Zhan ^{[1
]}

Yang, Xue ^{[1
]}

Sun, Hainan ^{[1
]}

机构：

[1] Shandong Vocat Coll Light Ind, Zibo 255300, Peoples R China

来源：

CHEMISTRY LETTERS | 2023年 / 52卷 / 05期

关键词：

DFT; Glucose oxidation; Au surfaces; ALKALINE FUEL-CELL; ELECTROCHEMICAL OXIDATION; SINGLE-CRYSTAL; GOLD; ADSORPTION; CATALYSTS; ACID; ELECTROOXIDATION; REACTIVITY; MECHANISM;

D O I：

10.1246/cl.230145

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The adsorption behavior and oxidation mechanism of glucose (C6H12O6) to gluconic acid in the presence of adsorbed OH on Au(211), Au(100) and Au(111) are unraveled utilizing density functional theory calculations. Three facets present the promising catalytic performance, while the higher adsorption energies of adsorbates and lower energy barriers in the reaction process render the more open Au(211) and Au(110) surfaces superior candidates.

引用

页码：361 / 364

页数：4

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