Tunable MoS2 bandgap in MoS2-graphene heterostructures
Using density functional theory calculations with van der Waals corrections, we investigated how the interlayer orientation affects the structure and electronic properties of MoS2-graphene bilayer heterostructures. Changing the orientation of graphene with respect to MoS2 strongly influences the typ...
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| Veröffentlicht in: | Applied physics letters 2014-07, Vol.105 (3) |
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| container_title | Applied physics letters |
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| creator | Ebnonnasir, Abbas Narayanan, Badri Kodambaka, Suneel Ciobanu, Cristian V. |
| description | Using density functional theory calculations with van der Waals corrections, we investigated how the interlayer orientation affects the structure and electronic properties of MoS2-graphene bilayer heterostructures. Changing the orientation of graphene with respect to MoS2 strongly influences the type and the value of the electronic bandgap in MoS2, while not significantly altering the binding energy between the layers or the interlayer spacing. We show that the physical origin of this tunable bandgap arises from variations in the S–S interplanar distance (MoS2 thickness) with the interlayer orientation, variations which are caused by electron transfer away from the Mo–S bonds. |
| doi_str_mv | 10.1063/1.4891430 |
| format | Article |
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Changing the orientation of graphene with respect to MoS2 strongly influences the type and the value of the electronic bandgap in MoS2, while not significantly altering the binding energy between the layers or the interlayer spacing. We show that the physical origin of this tunable bandgap arises from variations in the S–S interplanar distance (MoS2 thickness) with the interlayer orientation, variations which are caused by electron transfer away from the Mo–S bonds.</description><identifier>ISSN: 0003-6951</identifier><identifier>EISSN: 1077-3118</identifier><identifier>DOI: 10.1063/1.4891430</identifier><language>eng</language><publisher>Melville: American Institute of Physics</publisher><subject>Applied physics ; Bilayers ; Density functional theory ; Electron transfer ; Electronic properties ; Energy gap ; Graphene ; Heterostructures ; Interlayers ; Molybdenum disulfide ; Orientation</subject><ispartof>Applied physics letters, 2014-07, Vol.105 (3)</ispartof><rights>2014 AIP Publishing LLC.</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c323t-efd984752fa9a4493bb4f86009b2e168252fe11086a0756b146d1c454063d2d93</citedby><cites>FETCH-LOGICAL-c323t-efd984752fa9a4493bb4f86009b2e168252fe11086a0756b146d1c454063d2d93</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,776,780,27901,27902</link.rule.ids></links><search><creatorcontrib>Ebnonnasir, Abbas</creatorcontrib><creatorcontrib>Narayanan, Badri</creatorcontrib><creatorcontrib>Kodambaka, Suneel</creatorcontrib><creatorcontrib>Ciobanu, Cristian V.</creatorcontrib><title>Tunable MoS2 bandgap in MoS2-graphene heterostructures</title><title>Applied physics letters</title><description>Using density functional theory calculations with van der Waals corrections, we investigated how the interlayer orientation affects the structure and electronic properties of MoS2-graphene bilayer heterostructures. 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We show that the physical origin of this tunable bandgap arises from variations in the S–S interplanar distance (MoS2 thickness) with the interlayer orientation, variations which are caused by electron transfer away from the Mo–S bonds.</description><subject>Applied physics</subject><subject>Bilayers</subject><subject>Density functional theory</subject><subject>Electron transfer</subject><subject>Electronic properties</subject><subject>Energy gap</subject><subject>Graphene</subject><subject>Heterostructures</subject><subject>Interlayers</subject><subject>Molybdenum disulfide</subject><subject>Orientation</subject><issn>0003-6951</issn><issn>1077-3118</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><recordid>eNotkEtPwzAQhC0EEqFw4B9E4sQhxeu3j6iCglTEgXK27GTTh0oS7OTAv8fQnlafdjS7M4TcAp0DVfwB5sJYEJyekQKo1hUHMOekoJTySlkJl-QqpX1GyTgviFpPnQ8HLN_6D1YG3zUbP5S77p-rTfTDFjsstzhi7NMYp3qcIqZrctH6Q8Kb05yRz-en9eKlWr0vXxePq6rmjI8Vto01QkvWeuuFsDwE0RpFqQ0MQRmWNwhAjfJUSxVAqAZqIUWO0rDG8hm5O_oOsf-eMI1u30-xyycdA6akthpUVt0fVXX-MUVs3RB3Xz7-OKDurxYH7lQL_wVG01F_</recordid><startdate>20140721</startdate><enddate>20140721</enddate><creator>Ebnonnasir, Abbas</creator><creator>Narayanan, Badri</creator><creator>Kodambaka, Suneel</creator><creator>Ciobanu, Cristian V.</creator><general>American Institute of Physics</general><scope>AAYXX</scope><scope>CITATION</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope></search><sort><creationdate>20140721</creationdate><title>Tunable MoS2 bandgap in MoS2-graphene heterostructures</title><author>Ebnonnasir, Abbas ; Narayanan, Badri ; Kodambaka, Suneel ; Ciobanu, Cristian V.</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c323t-efd984752fa9a4493bb4f86009b2e168252fe11086a0756b146d1c454063d2d93</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2014</creationdate><topic>Applied physics</topic><topic>Bilayers</topic><topic>Density functional theory</topic><topic>Electron transfer</topic><topic>Electronic properties</topic><topic>Energy gap</topic><topic>Graphene</topic><topic>Heterostructures</topic><topic>Interlayers</topic><topic>Molybdenum disulfide</topic><topic>Orientation</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Ebnonnasir, Abbas</creatorcontrib><creatorcontrib>Narayanan, Badri</creatorcontrib><creatorcontrib>Kodambaka, Suneel</creatorcontrib><creatorcontrib>Ciobanu, Cristian V.</creatorcontrib><collection>CrossRef</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Applied physics letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Ebnonnasir, Abbas</au><au>Narayanan, Badri</au><au>Kodambaka, Suneel</au><au>Ciobanu, Cristian V.</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Tunable MoS2 bandgap in MoS2-graphene heterostructures</atitle><jtitle>Applied physics letters</jtitle><date>2014-07-21</date><risdate>2014</risdate><volume>105</volume><issue>3</issue><issn>0003-6951</issn><eissn>1077-3118</eissn><abstract>Using density functional theory calculations with van der Waals corrections, we investigated how the interlayer orientation affects the structure and electronic properties of MoS2-graphene bilayer heterostructures. 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| source | AIP Journals Complete; Alma/SFX Local Collection |
| subjects | Applied physics Bilayers Density functional theory Electron transfer Electronic properties Energy gap Graphene Heterostructures Interlayers Molybdenum disulfide Orientation |
| title | Tunable MoS2 bandgap in MoS2-graphene heterostructures |
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