Insights into the origin of super-high oxygen evolution potential of Cu doped SnO2 anodes: A theoretical study

被引：22
作者：
Chen, Aqing [1 ]
Xia, Shengjian [1 ]
Ji, Zhenguo [1 ]
Lu, Hongwei [1 ]
机构：
[1] Hangzhou Dianzi Univ, Coll Mat & Environm Engn, Hangzhou 310018, Zhejiang, Peoples R China
来源：
APPLIED SURFACE SCIENCE | 2019年 / 471卷
基金：
中国国家自然科学基金;
关键词：
Cu doped SnO2; Oxygen evolution potential; Anodes; Density functional theory; ADVANCED OXIDATION PROCESSES; WASTE-WATER; SPRAY-PYROLYSIS; ELECTRODES; DEGRADATION; REDUCTION; SELECTIVITY; TI/SNO2-SB; TI/BDD; FILMS;
D O I：
10.1016/j.apsusc.2018.11.233
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
SnO2 based anodes have been recognized as the most promising anodes for wastewater treatment due to the high oxygen evolution potential, high current efficiency and low cost. Herein, using large-scale screening-based density functional theory, we systemically investigate the origin of super-high oxygen evolution potential of Cu doped SnO2 anodes. We find that the low binding energy of OH* on (1 1 0) plane of Cu doped SnO2 anodes leads to the high onset potential for oxygen evolution. Detailed calculations of bond configurations and valence electron numbers reveal that the weak chemical absorption of OH* contribute to the low binding energy. The theoretical onset potential of oxygen evolution of 2.639 V (vs RHE) obtained from Free-energy diagram for OERs agrees well with the experimental value of similar to 2.7 V (vs RHE).
引用
收藏
页码：149 / 153
页数：5
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