Journal of Synthetic Crystals, Volume. 52, Issue 9, 1668(2023)
First-Principles Study on Photoelectric Properties of Janus Two-Dimensional Bilayer MoSSe/WSSe Heterostructures
The photoelectric properties of four two-dimensional bilayer MoSSe/WSSe van der Waals (vdW) heterostructures were investigated by the first-principles calculations. All four heterostructures have been conformed thermodynamic stable by the phonon spectra. Bilayer MoSSe/WSSe heterostructures can be indirect or direct semiconductor, depending on the stacking routes. Moreover, two Janus MoSSe/WSSe heterostructures show the suitable band gap of 1.22 and 1.88 eV, notable absorption index on the visible light, and band edge positions straddling the water redox potential. Therefore, Janus MoSSe/WSSe heterostructures are expected to have application prospects in the field of photocatalytic water decomposition.
Get Citation
Copy Citation Text
ZHOU Chunqi, ZHANG Hui, LI Kaiyu. First-Principles Study on Photoelectric Properties of Janus Two-Dimensional Bilayer MoSSe/WSSe Heterostructures[J]. Journal of Synthetic Crystals, 2023, 52(9): 1668
Category:
Received: Mar. 6, 2023
Accepted: --
Published Online: Oct. 7, 2023
The Author Email: Chunqi ZHOU (1620222420@qq.com)
CSTR:32186.14.