Enhanced Vis-NIR light absorption and thickness effect of Mo-modified SnO2 thin films: A first principle calculation study
文献类型： 外文期刊
第一作者： Liu, Jianqiao
作者： Liu, Jianqiao;Zhang, Haipeng;Li, Yilin;Shen, Haoran;Ding, Yang;Su, Ningning;Shao, Liang;Jin, Guohua;Zhai, Zhaoxia;Fu, Ce;Shao, Liang;Zhang, Qianru
作者机构：
关键词： First principle calculation; Tin oxide thin film; Thickness effect; Vis-NIR light absorption; Photocatalyst
期刊名称：RESULTS IN PHYSICS （ 影响因子：4.019； 五年影响因子：3.706 ）
ISSN： 2211-3797
年卷期： 2021 年 23 卷
页码：
收录情况： SCI
摘要： The thickness effect on ultraviolet, visible and near-infrared (UV-Vis-NIR) light absorption of Mo-modified tin oxide (SnO2) thin films is investigated by the first principle calculation based on the density functional theory. The electronic structures and optical properties of the pristine, defective, Mo-doped and Mon (n = 1, 2, 3, 4) cluster adsorbed SnO2 (1 1 0) surfaces with film thickness from 0.594 to 3.273 nm are discussed. The results show that the pristine SnO2 semiconductor thin films can hardly absorb the Vis-NIR light. The absorption peaks in the Vis-NIR light region of the defective SnO2 (110) surface increase with the film thickness. The Vis-NIR light absorption of SnO2 is significantly enhanced by Mo modification. Mon cluster adsorption on SnO2 makes the greatest enhancement in Vis-NIR light absorption. The surface modification of Mo is concluded to be a promising route for SnO2 semiconductor thin film as a photocatalyst under Vis-NIR light irradiation.
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