No Cover Image

Journal article 1092 views 519 downloads

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

Check full text

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...

Full description

Published in: Applied Surface Science
ISSN: 0169-4332
Published: 2019
Online Access: Check full text

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
fullrecord <?xml version="1.0"?><rfc1807><datestamp>2019-03-05T14:28:57.6008827</datestamp><bib-version>v2</bib-version><id>48171</id><entry>2019-01-15</entry><title>Study on electronic and optical properties of the twisted and strained MoS2/PtS2 heterogeneous interface</title><swanseaauthors><author><sid>ed2c658b77679a28e4c1dcf95af06bd6</sid><ORCID>0000-0003-4630-7692</ORCID><firstname>Lijie</firstname><surname>Li</surname><name>Lijie Li</name><active>true</active><ethesisStudent>false</ethesisStudent></author></swanseaauthors><date>2019-01-15</date><deptcode>ACEM</deptcode><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 heterogeneous interfaces are 19.1&#xB0;, 30.0&#xB0; and 40.9&#xB0;. 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&#xB0; rotation angle are 6&#x2013;12 times higher than 19.1&#xB0; and 40.9&#xB0; rotation angles of the MoS2/PtS2 heterogeneous interfaces. Moreover, under the 30.0&#xB0; 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&#x202F;nm (0% externally strain) to 1050&#x202F;nm (5% externally strain). The prominent optical properties of MoS2/PtS2 heterogeneous interface under 30&#xB0; 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.</abstract><type>Journal Article</type><journal>Applied Surface Science</journal><volume>476</volume><paginationStart>308</paginationStart><paginationEnd>316</paginationEnd><publisher/><issnPrint>0169-4332</issnPrint><keywords>MoS2/PtS2 heterogeneous structure, Twisting angle, Strain engineering, Optical performance</keywords><publishedDay>15</publishedDay><publishedMonth>5</publishedMonth><publishedYear>2019</publishedYear><publishedDate>2019-05-15</publishedDate><doi>10.1016/j.apsusc.2019.01.097</doi><url/><notes/><college>COLLEGE NANME</college><department>Aerospace, Civil, Electrical, and Mechanical Engineering</department><CollegeCode>COLLEGE CODE</CollegeCode><DepartmentCode>ACEM</DepartmentCode><institution>Swansea University</institution><apcterm/><lastEdited>2019-03-05T14:28:57.6008827</lastEdited><Created>2019-01-15T08:58:37.6602490</Created><path><level id="1">Faculty of Science and Engineering</level><level id="2">School of Aerospace, Civil, Electrical, General and Mechanical Engineering - Electronic and Electrical Engineering</level></path><authors><author><firstname>Shuo</firstname><surname>Deng</surname><order>1</order></author><author><firstname>Yan</firstname><surname>Zhang</surname><order>2</order></author><author><firstname>Lijie</firstname><surname>Li</surname><orcid>0000-0003-4630-7692</orcid><order>3</order></author></authors><documents><document><filename>0048171-15012019085947.pdf</filename><originalFilename>acceptedversionASS_LL.pdf</originalFilename><uploaded>2019-01-15T08:59:47.1200000</uploaded><type>Output</type><contentLength>1931589</contentLength><contentType>application/pdf</contentType><version>Accepted Manuscript</version><cronfaStatus>true</cronfaStatus><embargoDate>2020-01-14T00:00:00.0000000</embargoDate><copyrightCorrect>true</copyrightCorrect><language>eng</language></document></documents><OutputDurs/></rfc1807>
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 2019-05-15T05:45:38Z
_version_ 1850736575739068416
score 11.08895

Similar Items