Understanding the Influence of C-Doping on CO2 Photoreduction at SnS2 Nanosheets: A First-Principles Study

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成果类型：

期刊论文

作者：

Yao, Yongsheng;Yin, Wenjin;Tang, Zhenkun;Xu, Yimin;Guo, Jiayi;...

通讯作者：

Wei, Xiaolin

作者机构：

[Cao, Juexian; Wang, Heqin; Xu, Yimin; Guo, Jiayi; Yao, Yongsheng; Wei, Xiaolin] Xiangtan Univ, Dept Phys, Xiangtan 411105, Hunan, Peoples R China.

[Cao, Juexian; Wang, Heqin; Xu, Yimin; Guo, Jiayi; Yao, Yongsheng; Wei, Xiaolin] Xiangtan Univ, Lab Quantum Engn & Micronano Energy Technol, Xiangtan 411105, Hunan, Peoples R China.

[Yin, Wenjin] Hunan Univ Sci & Technol, Sch Phys & Elect Sci, Xiangtan 411201, Peoples R China.

[Tang, Zhenkun; Wei, Xiaolin] Hengyang Normal Univ, Coll Phys & Elect Engn, Hengyang 421002, Peoples R China.

通讯机构：

[Wei, XL ] X

Xiangtan Univ, Dept Phys, Xiangtan 411105, Hunan, Peoples R China.

Xiangtan Univ, Lab Quantum Engn & Micronano Energy Technol, Xiangtan 411105, Hunan, Peoples R China.

Hengyang Normal Univ, Coll Phys & Elect Engn, Hengyang 421002, Peoples R China.

语种：

英文

期刊：

Journal of Physical Chemistry C

ISSN：

1932-7447

年：

2022

卷：

126

期：

页码：

1271-1280

DOI：

10.1021/acs.jpcc.1c09403

基金类别：

National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [11774298, 52073243]; Foundation of Hunan Educational committee [16A203, 2019JJ50148]; Hunan Provincial Innovation Foundation for Postgraduate [XDCX2020B097, CX20200625]; science and technology innovation Program of Hunan Province [2020RC1009]; Science and Technology Plan Project of Hengyang City [202150083393]; Hunan Provincial Natural Science Foundation of ChinaNatural Science Foundation of Hunan Province [2020JJ4147]; Research Foundation of Education Bureau of Hunan Province, China [19B076]

机构署名：

本校为通讯机构

院系归属：

物理与电子工程学院

摘要：

In this work, the photocatalytic CO2 conversion of two-dimensional (2D) SnS2 nanosheets modified by S-defect (SnS2-VS) and carbon interstitial doping (SnS2-Cint) is investigated by first-principles calculations. From a thermodynamic point of view, SnS2-VS and SnS2-Cint show narrower band gaps, suitable band edge positions, red-shifted absorption spectrum, and stronger light absorption, suggesting a better photocatalytic activity. Importantly, Cint can not only improve the electrical conductivity of SnS2 nanosheets but also prolong the lifetime ...

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Understanding the Influence of C-Doping on CO2 Photoreduction at SnS2 Nanosheets: A First-Principles Study

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