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Graphene/MoXY Heterostructures Adjusted by Interlayer Distance, External Electric Field and Strain for Tunable Devices

Shuo Deng, Lijie Li Orcid Logo, Paul Rees Orcid Logo

ACS Applied Nano Materials

Swansea University Authors: Lijie Li Orcid Logo, Paul Rees Orcid Logo

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DOI (Published version): 10.1021/acsanm.9b00871

Abstract

Graphene has shown great promise in many electronic devices and systems since it was discovered. However doping control limits its use in devices. For addressing this problem, graphene/MoXY (X/Y=S, Se, Te and X≠Y) heterostructures have been investigated in this work. We analyze electronic and optica...

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Published in: ACS Applied Nano Materials
ISSN: 2574-0970 2574-0970
Published: 2019
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URI: https://cronfa.swan.ac.uk/Record/cronfa50533
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first_indexed 2019-06-05T11:07:45Z
last_indexed 2019-07-18T21:35:45Z
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fullrecord <?xml version="1.0"?><rfc1807><datestamp>2019-07-18T16:11:56.8747049</datestamp><bib-version>v2</bib-version><id>50533</id><entry>2019-05-24</entry><title>Graphene/MoXY Heterostructures Adjusted by Interlayer Distance, External Electric Field and Strain for Tunable Devices</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><author><sid>537a2fe031a796a3bde99679ee8c24f5</sid><ORCID>0000-0002-7715-6914</ORCID><firstname>Paul</firstname><surname>Rees</surname><name>Paul Rees</name><active>true</active><ethesisStudent>false</ethesisStudent></author></swanseaauthors><date>2019-05-24</date><deptcode>EEEG</deptcode><abstract>Graphene has shown great promise in many electronic devices and systems since it was discovered. However doping control limits its use in devices. For addressing this problem, graphene/MoXY (X/Y=S, Se, Te and X&#x2260;Y) heterostructures have been investigated in this work. We analyze electronic and optical properties of the graphene/MoXY heterostructures under various effects such as interlayer distance, external electric field and mechanical strain by the first principles method. We find that interlayer distance and external electric field are two prominent parameters to induce tunable homogeneous doping of graphene (G). Compared with interlayer distance modulation, the tuning range of the carrier density in the graphene layer by the external electric field is wider. In the graphene/MoXY heterostructures, the highest carrier density of graphene is simulated to be 4.62 x 10^13/cm^2 for the G/TeMoS stacking under the electric field strength of 1.0V/ &#xC5;. The doping concentration of the graphene layer can be tuned from 3.94 &#xD7; 10^13/cm^2 (hole) to 2.00 &#xD7; 10^13/cm^2 (electron) subject to the external electric fields of -1.0V/ &#xC5; and 1.0V/ &#xC5; for the G/SMoTe type. In addition, the optical absorption coefficient of the heterogeneous graphene/MoSSe is higher than 10^5/cm in the wavelength range from 550 nm to 800 nm. The results indicate that these graphene/MoXY heterostructures will have great applications in tunable nanoelectronic devices.</abstract><type>Journal Article</type><journal>ACS Applied Nano Materials</journal><publisher/><issnPrint>2574-0970</issnPrint><issnElectronic>2574-0970</issnElectronic><keywords/><publishedDay>31</publishedDay><publishedMonth>12</publishedMonth><publishedYear>2019</publishedYear><publishedDate>2019-12-31</publishedDate><doi>10.1021/acsanm.9b00871</doi><url/><notes/><college>COLLEGE NANME</college><department>Electronic and Electrical Engineering</department><CollegeCode>COLLEGE CODE</CollegeCode><DepartmentCode>EEEG</DepartmentCode><institution>Swansea University</institution><apcterm/><lastEdited>2019-07-18T16:11:56.8747049</lastEdited><Created>2019-05-24T23:00:05.2378953</Created><path><level id="1">Faculty of Science and Engineering</level><level id="2">School of Engineering and Applied Sciences - Biomedical Engineering</level></path><authors><author><firstname>Shuo</firstname><surname>Deng</surname><order>1</order></author><author><firstname>Lijie</firstname><surname>Li</surname><orcid>0000-0003-4630-7692</orcid><order>2</order></author><author><firstname>Paul</firstname><surname>Rees</surname><orcid>0000-0002-7715-6914</orcid><order>3</order></author></authors><documents><document><filename>0050533-28052019120456.pdf</filename><originalFilename>acsanm.9b00871_accepted.pdf</originalFilename><uploaded>2019-05-28T12:04:56.7600000</uploaded><type>Output</type><contentLength>1957653</contentLength><contentType>application/pdf</contentType><version>Accepted Manuscript</version><cronfaStatus>true</cronfaStatus><embargoDate>2020-05-24T00:00:00.0000000</embargoDate><copyrightCorrect>true</copyrightCorrect><language>eng</language></document></documents><OutputDurs/></rfc1807>
spelling 2019-07-18T16:11:56.8747049 v2 50533 2019-05-24 Graphene/MoXY Heterostructures Adjusted by Interlayer Distance, External Electric Field and Strain for Tunable Devices ed2c658b77679a28e4c1dcf95af06bd6 0000-0003-4630-7692 Lijie Li Lijie Li true false 537a2fe031a796a3bde99679ee8c24f5 0000-0002-7715-6914 Paul Rees Paul Rees true false 2019-05-24 EEEG Graphene has shown great promise in many electronic devices and systems since it was discovered. However doping control limits its use in devices. For addressing this problem, graphene/MoXY (X/Y=S, Se, Te and X≠Y) heterostructures have been investigated in this work. We analyze electronic and optical properties of the graphene/MoXY heterostructures under various effects such as interlayer distance, external electric field and mechanical strain by the first principles method. We find that interlayer distance and external electric field are two prominent parameters to induce tunable homogeneous doping of graphene (G). Compared with interlayer distance modulation, the tuning range of the carrier density in the graphene layer by the external electric field is wider. In the graphene/MoXY heterostructures, the highest carrier density of graphene is simulated to be 4.62 x 10^13/cm^2 for the G/TeMoS stacking under the electric field strength of 1.0V/ Å. The doping concentration of the graphene layer can be tuned from 3.94 × 10^13/cm^2 (hole) to 2.00 × 10^13/cm^2 (electron) subject to the external electric fields of -1.0V/ Å and 1.0V/ Å for the G/SMoTe type. In addition, the optical absorption coefficient of the heterogeneous graphene/MoSSe is higher than 10^5/cm in the wavelength range from 550 nm to 800 nm. The results indicate that these graphene/MoXY heterostructures will have great applications in tunable nanoelectronic devices. Journal Article ACS Applied Nano Materials 2574-0970 2574-0970 31 12 2019 2019-12-31 10.1021/acsanm.9b00871 COLLEGE NANME Electronic and Electrical Engineering COLLEGE CODE EEEG Swansea University 2019-07-18T16:11:56.8747049 2019-05-24T23:00:05.2378953 Faculty of Science and Engineering School of Engineering and Applied Sciences - Biomedical Engineering Shuo Deng 1 Lijie Li 0000-0003-4630-7692 2 Paul Rees 0000-0002-7715-6914 3 0050533-28052019120456.pdf acsanm.9b00871_accepted.pdf 2019-05-28T12:04:56.7600000 Output 1957653 application/pdf Accepted Manuscript true 2020-05-24T00:00:00.0000000 true eng
title Graphene/MoXY Heterostructures Adjusted by Interlayer Distance, External Electric Field and Strain for Tunable Devices
spellingShingle Graphene/MoXY Heterostructures Adjusted by Interlayer Distance, External Electric Field and Strain for Tunable Devices
Lijie Li
Paul Rees
title_short Graphene/MoXY Heterostructures Adjusted by Interlayer Distance, External Electric Field and Strain for Tunable Devices
title_full Graphene/MoXY Heterostructures Adjusted by Interlayer Distance, External Electric Field and Strain for Tunable Devices
title_fullStr Graphene/MoXY Heterostructures Adjusted by Interlayer Distance, External Electric Field and Strain for Tunable Devices
title_full_unstemmed Graphene/MoXY Heterostructures Adjusted by Interlayer Distance, External Electric Field and Strain for Tunable Devices
title_sort Graphene/MoXY Heterostructures Adjusted by Interlayer Distance, External Electric Field and Strain for Tunable Devices
author_id_str_mv ed2c658b77679a28e4c1dcf95af06bd6
537a2fe031a796a3bde99679ee8c24f5
author_id_fullname_str_mv ed2c658b77679a28e4c1dcf95af06bd6_***_Lijie Li
537a2fe031a796a3bde99679ee8c24f5_***_Paul Rees
author Lijie Li
Paul Rees
author2 Shuo Deng
Lijie Li
Paul Rees
format Journal article
container_title ACS Applied Nano Materials
publishDate 2019
institution Swansea University
issn 2574-0970
2574-0970
doi_str_mv 10.1021/acsanm.9b00871
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 Engineering and Applied Sciences - Biomedical Engineering{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Engineering and Applied Sciences - Biomedical Engineering
document_store_str 1
active_str 0
description Graphene has shown great promise in many electronic devices and systems since it was discovered. However doping control limits its use in devices. For addressing this problem, graphene/MoXY (X/Y=S, Se, Te and X≠Y) heterostructures have been investigated in this work. We analyze electronic and optical properties of the graphene/MoXY heterostructures under various effects such as interlayer distance, external electric field and mechanical strain by the first principles method. We find that interlayer distance and external electric field are two prominent parameters to induce tunable homogeneous doping of graphene (G). Compared with interlayer distance modulation, the tuning range of the carrier density in the graphene layer by the external electric field is wider. In the graphene/MoXY heterostructures, the highest carrier density of graphene is simulated to be 4.62 x 10^13/cm^2 for the G/TeMoS stacking under the electric field strength of 1.0V/ Å. The doping concentration of the graphene layer can be tuned from 3.94 × 10^13/cm^2 (hole) to 2.00 × 10^13/cm^2 (electron) subject to the external electric fields of -1.0V/ Å and 1.0V/ Å for the G/SMoTe type. In addition, the optical absorption coefficient of the heterogeneous graphene/MoSSe is higher than 10^5/cm in the wavelength range from 550 nm to 800 nm. The results indicate that these graphene/MoXY heterostructures will have great applications in tunable nanoelectronic devices.
published_date 2019-12-31T04:02:01Z
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score 11.012678

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