Investigation of glucose oxidation mechanism on the graphene nanosheet decorated by Pt, Au, and Cu metals: a DFT study

被引：0
|
作者：
Wang, Yingying [1 ,2 ]
Li, Hongxia [1 ,2 ]
机构：
[1] Shandong Vocat Coll Light Ind, Zibo City Engn Res Ctr New Pollut Monitoring & Gov, Hlth Management Dept, Mishan Rd 30, Zibo 255300, Shandong, Peoples R China
[2] Shandong Univ, Inst Theoret Chem, Shanda Nanlu 27, Jinan 250100, Shandong, Peoples R China
来源：
CHEMISTRY LETTERS | 2025年 / 54卷 / 02期
关键词：
DFT; glucose oxidation; single-atom catalysts; GENERALIZED GRADIENT APPROXIMATION; FORMIC-ACID; GOLD; ELECTROOXIDATION; PERFORMANCE; HYDROGENATION; NANOPARTICLES; CATALYSIS; SURFACES; CO2;
D O I：
10.1093/chemle/upaf011
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
The investigation of glucose oxidation in alkaline solutions has been conducted using DFT computations on graphene nanosheets decorated with single metal atoms of Pt, Au, and Cu (denoted as PtG, AuG, and CuG). The study reveals that all 3 catalysts are effective in catalyzing the oxidation of glucose to gluconic acid. Among these models, PtG emerges as the most favorable catalyst with the rate-determining step energy barrier of only 0.45 eV.
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页数：5
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