The unique photoelectronic properties of the two-dimensional Janus MoSSe/WSSe superlattice: a first-principles study

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成果类型：

期刊论文

作者：

Zhang, Huanhuan;Deng, Dawei;Zou, Dai-Feng;Li, Xi-Bo;Tang, Zhen-Kun;...

通讯作者：

Ge, Qing-Xia(1081003@hnust.edu.cn);Yin, Wen-Jin(ywj@hnust.edu.cn)

作者机构：

[Yin, Wen-Jin; Deng, Dawei; Zou, Dai-Feng; Ge, Qing-Xia; Zhang, Huanhuan] Hunan Univ Sci & Technol, Sch Phys & Elect Sci, Xiangtan 411201, Peoples R China.

[Yin, Wen-Jin; Zhang, Huanhuan] Hunan Univ Sci & Technol, Key Lab Intelligent Sensors & Adv Sensing Mat Hun, Xiangtan 411201, Peoples R China.

[Li, Xi-Bo] Jinan Univ, Dept Phys, Guangzhou 510632, Peoples R China.

[Tang, Zhen-Kun] Hengyang Normal Univ, Coll Phys & Elect Engn, Hengyang 421008, Peoples R China.

[Wei, Xiao-Lin] Xiangtan Univ, Dept Phys, Xiangtan 411105, Hunan, Peoples R China.

通讯机构：

[Qing-Xia Ge; Wen-Jin Yin] S

School of Physics and Electronic Science, Hunan University of Science and Technology, Xiangtan 411201, China<&wdkj&>School of Physics and Electronic Science, Hunan University of Science and Technology, Xiangtan 411201, China<&wdkj&>Key Laboratory of Intelligent Sensors and Advanced Sensing Materials of Hunan Province, Hunan University of Science and Technology, Xiangtan 411201, China

语种：

英文

期刊：

DALTON TRANSACTIONS

ISSN：

1477-9226

年：

2022

卷：

期：

页码：

16102-16110

DOI：

10.1039/d2dt02531k

基金类别：

This work was supported by the Science Challenge Project (TZ2018004), the National Natural Science Foundation of China (No. 51572016, U1530401, 11704116, 11804090, 51472209, 11774298, U1401241, and 21503012), the project of Hunan Provincial Department of Education (No. 21B0485 and 19B206), the Natural Science Foundation of Hunan Province, China (Grant No. 2019JJ50175 and 2019JJ50148). It is also supported by the Royal Society Newton Advanced Fellowship scheme (Grant No. NAF\R1\180242).

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本校为其他机构

院系归属：

物理与电子工程学院

摘要：

Designing photocatalysts with suitable band alignment and considerable carrier mobility is extremely important. Here, by means of first-principles calculation, we systematically investigated the structural, photoelectronic, and carrier mobility behavior of the two-dimensional Janus MoSSe/WSSe superlattice. The results show that both armchair-type (AN-SL) and zigzag-type (ZN-SL) superlattices are relatively stable with negative Ef values in the range of −2.35 to −1.16 eV. Band gap and band edge position calculations demonstrate that these supe...

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The unique photoelectronic properties of the two-dimensional Janus MoSSe/WSSe superlattice: a first-principles study

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