首页|Two-dimensional polarized MoSSe/MoTe2 van der Waals heterostructure:A polarization-tunable optoelectronic material

Two-dimensional polarized MoSSe/MoTe2 van der Waals heterostructure:A polarization-tunable optoelectronic material

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Two-dimensional(2D)heterostructures have shown great potential in advanced photovoltaics due to their restrained carrier recombination,prolonged exciton lifetime and improved light absorption.Herein,a 2D polarized heterostructure is constructed between Janus MoSSe and MoTe2 monolayers and is systematically investigated via first-principles calcula-tions.Electronically,the valence band and conduction band of the MoSSe-MoTe2(MoSeS-MoTe2)are contributed by MoTe2 and MoSSe layers,respectively,and its bandgap is 0.71(0.03)eV.A built-in electric field pointing from MoTe2 to MoSSe layers appears at the interface of heterostructures due to the interlayer carrier redistribution.Notably,the band alignment and built-in electric field make it a direct z-scheme heterostructure,benefiting the separation of photogenerated electron-hole pairs.Besides,the electronic structure and interlayer carrier reconstruction can be readily controlled by reversing the electric polarization of the MoSSe layer.Furthermore,the light absorption of the MoSSe/MoTe2 heterostructure is also improved in comparison with the separated mono-layers.Consequently,in this work,a new z-scheme polarized heterostruc-ture with polarization-controllable optoelectronic properties is designed for highly efficient optoelectronics.

MoSSe/MoTe2photovoltaicsferroelectric heterostructure

Fahhad Alsubaie、Munirah Muraykhan、Lei Zhang、Dongchen Qi、Ting Liao、Liangzhi Kou、Aijun Du、Cheng Tang

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School of Chemistry and Physics,Centre for Materials Science,Queensland University of Technology,Brisbane,QLD 4001,Australia

School of Mechanical,Medical and Process Engineering,Queensland University of Technology,Brisbane,QLD 4001,Australia

grants of highperformance computing resources provided by NCI National Facility and the Pawsey Supercomputing Centre through theAustralian Government and the Government of Western Australia.A.D.also greatly appreciates the financial support of the Aust

2024

物理学前沿
高等教育出版社

物理学前沿

CSTPCD
影响因子：0.816
ISSN：2095-0462
年,卷(期)：2024.19(1)
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