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Study on electronic and optical properties of the twisted and strained MoS2/PtS2 heterogeneous interface

Shuo Deng, Yan Zhang, Lijie Li Orcid Logo

Applied Surface Science, Volume: 476, Pages: 308 - 316

Swansea University Author: Lijie Li Orcid Logo

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DOI (Published version): 10.1016/j.apsusc.2019.01.097

Abstract

We report electronic and optical properties of the MoS2/PtS2 heterogeneous interfaces subject to various twisting angles based on the first principles simulation. In order to sustain the structural stability and avoid to have a large size cell, the optimized rotation angles of the MoS2/PtS2 heteroge...

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Published in: Applied Surface Science
ISSN: 0169-4332
Published: 2019
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URI: https://cronfa.swan.ac.uk/Record/cronfa48171
first_indexed 2019-01-15T14:01:24Z
last_indexed 2019-03-05T19:58:07Z
id cronfa48171
recordtype SURis
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spelling 2019-03-05T14:28:57.6008827 v2 48171 2019-01-15 Study on electronic and optical properties of the twisted and strained MoS2/PtS2 heterogeneous interface ed2c658b77679a28e4c1dcf95af06bd6 0000-0003-4630-7692 Lijie Li Lijie Li true false 2019-01-15 ACEM We report electronic and optical properties of the MoS2/PtS2 heterogeneous interfaces subject to various twisting angles based on the first principles simulation. In order to sustain the structural stability and avoid to have a large size cell, the optimized rotation angles of the MoS2/PtS2 heterogeneous interfaces are 19.1°, 30.0° and 40.9°. It is found from the first principle simulation that the absolute passband amplitude of the refractive index, extinction coefficient, reflectivity and absorption coefficient curves under 30.0° rotation angle are 6–12 times higher than 19.1° and 40.9° rotation angles of the MoS2/PtS2 heterogeneous interfaces. Moreover, under the 30.0° twisting angle, the absorption coefficient in the absorption spectrum can reach to or above 105/cm. The absorption spectrum has a red-shift and a broadening effect with the tensile strain, from roughly 700 nm (0% externally strain) to 1050 nm (5% externally strain). The prominent optical properties of MoS2/PtS2 heterogeneous interface under 30° rotation angle still exist after taking into consideration the spin-orbit coupling (SOC) effect. These results suggest that the MoS2/PtS2 heterogeneous interfaces will have great potential applications in tunable optoelectronic devices. Journal Article Applied Surface Science 476 308 316 0169-4332 MoS2/PtS2 heterogeneous structure, Twisting angle, Strain engineering, Optical performance 15 5 2019 2019-05-15 10.1016/j.apsusc.2019.01.097 COLLEGE NANME Aerospace, Civil, Electrical, and Mechanical Engineering COLLEGE CODE ACEM Swansea University 2019-03-05T14:28:57.6008827 2019-01-15T08:58:37.6602490 Faculty of Science and Engineering School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering Shuo Deng 1 Yan Zhang 2 Lijie Li 0000-0003-4630-7692 3 0048171-15012019085947.pdf acceptedversionASS_LL.pdf 2019-01-15T08:59:47.1200000 Output 1931589 application/pdf Accepted Manuscript true 2020-01-14T00:00:00.0000000 true eng
title Study on electronic and optical properties of the twisted and strained MoS2/PtS2 heterogeneous interface
spellingShingle Study on electronic and optical properties of the twisted and strained MoS2/PtS2 heterogeneous interface
Lijie Li
title_short Study on electronic and optical properties of the twisted and strained MoS2/PtS2 heterogeneous interface
title_full Study on electronic and optical properties of the twisted and strained MoS2/PtS2 heterogeneous interface
title_fullStr Study on electronic and optical properties of the twisted and strained MoS2/PtS2 heterogeneous interface
title_full_unstemmed Study on electronic and optical properties of the twisted and strained MoS2/PtS2 heterogeneous interface
title_sort Study on electronic and optical properties of the twisted and strained MoS2/PtS2 heterogeneous interface
author_id_str_mv ed2c658b77679a28e4c1dcf95af06bd6
author_id_fullname_str_mv ed2c658b77679a28e4c1dcf95af06bd6_***_Lijie Li
author Lijie Li
author2 Shuo Deng
Yan Zhang
Lijie Li
format Journal article
container_title Applied Surface Science
container_volume 476
container_start_page 308
publishDate 2019
institution Swansea University
issn 0169-4332
doi_str_mv 10.1016/j.apsusc.2019.01.097
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering
document_store_str 1
active_str 0
description We report electronic and optical properties of the MoS2/PtS2 heterogeneous interfaces subject to various twisting angles based on the first principles simulation. In order to sustain the structural stability and avoid to have a large size cell, the optimized rotation angles of the MoS2/PtS2 heterogeneous interfaces are 19.1°, 30.0° and 40.9°. It is found from the first principle simulation that the absolute passband amplitude of the refractive index, extinction coefficient, reflectivity and absorption coefficient curves under 30.0° rotation angle are 6–12 times higher than 19.1° and 40.9° rotation angles of the MoS2/PtS2 heterogeneous interfaces. Moreover, under the 30.0° twisting angle, the absorption coefficient in the absorption spectrum can reach to or above 105/cm. The absorption spectrum has a red-shift and a broadening effect with the tensile strain, from roughly 700 nm (0% externally strain) to 1050 nm (5% externally strain). The prominent optical properties of MoS2/PtS2 heterogeneous interface under 30° rotation angle still exist after taking into consideration the spin-orbit coupling (SOC) effect. These results suggest that the MoS2/PtS2 heterogeneous interfaces will have great potential applications in tunable optoelectronic devices.
published_date 2019-05-15T19:38:11Z
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score 11.04748

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