Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.11851/7090
Title: MoSi2N4 single-layer: a novel two-dimensional material with outstanding mechanical, thermal, electronic and optical properties
Authors: Bafekry, A.
Faraji, M.
Hoat, D. M.
Shahrokhi, M.
Fadlallah, M. M.
Shojaei, F.
Gogova, D.
Keywords: two-dimensional materials beyond graphene
optical properties study
theory and applications
DFT
Thermal
electronic and photocatalytic properties
Issue Date: 2021
Publisher: IOP Publishing Ltd
Abstract: Very recently, the 2D form of MoSi2N4 has been successfully fabricated (Hong et al 2020 Science 369 670). Motivated by these recent experimental results, we investigate the structural, mechanical, thermal, electronic and optical properties of the MoSi2N4 monolayer. The mechanical study confirms the stability of the MoSi2N4 monolayer. The Young's modulus decreases by similar to 30%, while the Poisson's ratio increases by similar to 30% compared to the corresponding values of graphene. In addition, the MoSi2N4 monolayer's work function is very similar to that of phosphorene and MoS2 monolayers. The electronic structure shows that the MoSi2N4 monolayer is an indirect semiconductor with a band gaps of 1.79 (2.35) eV using the GGA (HSE06) functional. The thermoelectric performance of the MoSi2N4 monolayer has been revealed and a figure of merit slightly larger than unity at high temperatures is calculated. The optical analysis shows that the first absorption peak for in-plane polarization is located in the visible range of the spectrum, therefore, the MoSi2N4 monolayer is a promising candidate for advanced optoelectronic nanodevices. In summary, the fascinating MoSi2N4 monoloayer is a promising 2D material for many applications due to its unique physical properties.
URI: https://doi.org/10.1088/1361-6463/abdb6b
https://hdl.handle.net/20.500.11851/7090
ISSN: 0022-3727
1361-6463
Appears in Collections:Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü / Department of Material Science & Nanotechnology Engineering
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

Show full item record

CORE Recommender

SCOPUSTM   
Citations

16
checked on Sep 23, 2022

WEB OF SCIENCETM
Citations

75
checked on Sep 24, 2022

Page view(s)

28
checked on Dec 26, 2022

Google ScholarTM

Check

Altmetric


Items in GCRIS Repository are protected by copyright, with all rights reserved, unless otherwise indicated.