Enhanced Vis-NIR light absorption and thickness effect of Mo-modified SnO2 thin films: A first principle calculation study

Jianqiao Liu; Haipeng Zhang; Yilin Li; Haoran Shen; Yang Ding; Ningning Su; Liang Shao; Guohua Jin; Zhaoxia Zhai; Ce Fu; Qianru Zhang

Results in Physics (Apr 2021)

Enhanced Vis-NIR light absorption and thickness effect of Mo-modified SnO2 thin films: A first principle calculation study

Jianqiao Liu,
Haipeng Zhang,
Yilin Li,
Haoran Shen,
Yang Ding,
Ningning Su,
Liang Shao,
Guohua Jin,
Zhaoxia Zhai,
Ce Fu,
Qianru Zhang

Affiliations

Jianqiao Liu: College of Information Science and Technology, Dalian Maritime University, Dalian 116026, Liaoning, PR China; Corresponding authors at: College of Information Science and Technology, Dalian Maritime University, Linghai Road 1, Ganjingzi District, Dalian 116026, Liaoning, PR China.
Haipeng Zhang: College of Information Science and Technology, Dalian Maritime University, Dalian 116026, Liaoning, PR China
Yilin Li: College of Information Science and Technology, Dalian Maritime University, Dalian 116026, Liaoning, PR China
Haoran Shen: College of Information Science and Technology, Dalian Maritime University, Dalian 116026, Liaoning, PR China
Yang Ding: College of Information Science and Technology, Dalian Maritime University, Dalian 116026, Liaoning, PR China
Ningning Su: College of Information Science and Technology, Dalian Maritime University, Dalian 116026, Liaoning, PR China
Liang Shao: College of Information Science and Technology, Dalian Maritime University, Dalian 116026, Liaoning, PR China; Dalian Economy and Technology Development Area No.1 High School, Dalian 116600, Liaoning, PR China
Guohua Jin: College of Information Science and Technology, Dalian Maritime University, Dalian 116026, Liaoning, PR China
Zhaoxia Zhai: College of Information Science and Technology, Dalian Maritime University, Dalian 116026, Liaoning, PR China
Ce Fu: College of Information Science and Technology, Dalian Maritime University, Dalian 116026, Liaoning, PR China; Corresponding authors at: College of Information Science and Technology, Dalian Maritime University, Linghai Road 1, Ganjingzi District, Dalian 116026, Liaoning, PR China.
Qianru Zhang: Institute of Agriculture Resources and Regional Planning, Chinese Academy of Agricultural Sciences, Beijing 100081, PR China; Corresponding authors at: College of Information Science and Technology, Dalian Maritime University, Linghai Road 1, Ganjingzi District, Dalian 116026, Liaoning, PR China.

Journal volume & issue: Vol. 23
p. 103997

Abstract

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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 (110) 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.

Published in Results in Physics

ISSN: 2211-3797 (Online)
Publisher: Elsevier
Country of publisher: Netherlands
LCC subjects: Science: Physics
Website: http://www.journals.elsevier.com/results-in-physics/

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