Computational Materials Science2022,Vol.2106.DOI:10.1016/j.commatsci.2022.111459

Graphdiyne@MoS2/WS2 heterostructures for infrared and visible photodetectors: A first-principles study

Li, Chuyu Peng, Junhao Huang, Hongfu Li, Zixuan Chen, Jiawei Dong, Huafeng Wen, Minru Wu, Fugen
Computational Materials Science2022,Vol.2106.DOI:10.1016/j.commatsci.2022.111459

Graphdiyne@MoS2/WS2 heterostructures for infrared and visible photodetectors: A first-principles study

Li, Chuyu 1Peng, Junhao 1Huang, Hongfu 1Li, Zixuan 1Chen, Jiawei 1Dong, Huafeng 1Wen, Minru 1Wu, Fugen1
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作者信息

  • 1. Guangdong Univ Technol
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Abstract

MoS2/WS2 heterostructures are widely used in photonic and optoelectronic devices due to their excellent electronic properties and high chemical stability. Herein, we systematically investigated the graphdiyne@MoS2/WS2 heterojunction which demonstrates enhanced performance in the short-wavelength infrared regime. The bidirectional heterostructures have a much smaller bandgap (0.495 eV) compared to MoS2/WS2 (1.71 eV), which will extend the light absorption wavelengths. Further, the perpendicular electric field can effectively tune the band alignment of the bidirectional heterostructures. The critical electric fields, at which the transformation from type-I to type-II and semiconductor-to-metal transition occur, are calculated to be 0.2 V/A and 0.5 V/A, respectively. Our results show that the bidirectional heterostructures graphdiyne@MoS2/WS2 could be applied in the field of infrared photonics and optoelectronics.

Key words

TOTAL-ENERGY CALCULATIONS/INPLANE HETEROSTRUCTURES/ELECTRONIC-STRUCTURE/GRAPHDIYNE/TRANSPORT/GROWTH

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出版年

2022
Computational Materials Science

Computational Materials Science

EISCI
ISSN:0927-0256
被引量3
参考文献量39
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