Please use this identifier to cite or link to this item: https://hdl.handle.net/20.500.11851/8180
Title: Monoelemental two-dimensional iodinene nanosheets: a first-principles study of the electronic and optical properties
Authors: Bafekry, A.
Stampfl, C.
Faraji, M.
Mortazavi, B.
Fadlallah, M. M.
Nguyen, Chuong, V
Fazeli, S.
Keywords: iodinene
first-principles calculations
2D materials
electronic properties
semiconductor
Honeycomb-Like
Graphene
Issue Date: 2022
Publisher: Iop Publishing Ltd
Abstract: Very recently, two-dimensional (2D) iodinene, a novel layered and buckled structure has been successfully fabricated (Qian et al 2020 Adv. Mater. 32 2004835). Motivated by this latest experimental accomplishment, for the first time we conduct density functional theory, first-principles calculations to explore the structural, electronic, and optical properties of monolayer, few-layer and bulk iodinene. Unlike the majority of monoelemental 2D lattices, iodinene is predicted to be an intrinsic semiconductor. On the basis of calculations using the generalized gradient approximation of Perdew-Burke-Ernzerhof for the exchange-correlation functional and the Heyd-Scuseria-Ernzerhof (HSE06) functional, it is shown that the electronic bandgap of iodinene decreases with increasing the number of atomic layers. Our HSE06 results reveal that the bandgap of iodinene decreases from 2.08 to 1.28 eV as the number of atomic layers change from one to five, highlighting the finely tunable bandgap. The optical study shows the monolayer has the ability to absorb a wide range of ultraviolet light, more than multilayers and bulk iodinene. As the number of layers increases, the absorption spectra exhibits a blue shift relative to monolayer iodinene. This study confirms the remarkable prospect for the application of iodinene in nanoelectronics and optoelectronics owing to its intrinsic semiconducting nature.
URI: https://doi.org/10.1088/1361-6463/ac45ad
https://hdl.handle.net/20.500.11851/8180
ISSN: 0022-3727
1361-6463
Appears in Collections:Malzeme Bilimi ve Nanoteknoloji Mühendisliği Bölümü / Department of Material Science & Nanotechnology Engineering
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

Show full item record

CORE Recommender

Page view(s)

4
checked on Aug 15, 2022

Google ScholarTM

Check

Altmetric


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