Journal of Synthetic Crystals, Volume. 52, Issue 9, 1668(2023)

First-Principles Study on Photoelectric Properties of Janus Two-Dimensional Bilayer MoSSe/WSSe Heterostructures

ZHOU Chunqi1、*, ZHANG Hui2, and LI Kaiyu2
Author Affiliations
  • 1[in Chinese]
  • 2[in Chinese]
  • show less

    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.

    Tools

    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

    Download Citation

    EndNote(RIS)BibTexPlain Text
    Save article for my favorites
    Paper Information

    Category:

    Received: Mar. 6, 2023

    Accepted: --

    Published Online: Oct. 7, 2023

    The Author Email: Chunqi ZHOU (1620222420@qq.com)

    DOI:

    CSTR:32186.14.

    Topics