Structural and Electronic Properties of Superlattice Composed of Graphene and Monolayer MoS2
Hybrid systems consisting of graphene and various two-dimensional materials would provide more opportunities for achieving desired electronic and optoelectronic properties. Here, we focus on a superlattice composed of graphene and monolayer MoS2. The geometric and electronic structures of the superl...
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| Veröffentlicht in: | Journal of physical chemistry. C 2013-07, Vol.117 (29), p.15347-15353 |
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| container_end_page | 15353 |
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| container_issue | 29 |
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| container_title | Journal of physical chemistry. C |
| container_volume | 117 |
| creator | Li, X. D Yu, S Wu, S. Q Wen, Y. H Zhou, S Zhu, Z. Z |
| description | Hybrid systems consisting of graphene and various two-dimensional materials would provide more opportunities for achieving desired electronic and optoelectronic properties. Here, we focus on a superlattice composed of graphene and monolayer MoS2. The geometric and electronic structures of the superlattice have been studied by using density functional theory. The possible stacking models, which are classified into four types, are considered. Our results revealed that all the models of graphene/MoS2 superlattices exhibit metallic electronic properties. Small band gaps are opened up at the K-point of the Brillouin zone for all the four structural models. Furthermore, a small amount of charge transfer from the graphene layer to the intermediate region of C–S layers is found. The band structure and the charge transfer together with the buckling distortion of the graphene layer in the superlattice indicate that the interaction between the stacking sheets in the superlattice is more than just the van der Waals interaction. |
| doi_str_mv | 10.1021/jp404080z |
| format | Article |
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D ; Yu, S ; Wu, S. Q ; Wen, Y. H ; Zhou, S ; Zhu, Z. Z</creator><creatorcontrib>Li, X. D ; Yu, S ; Wu, S. Q ; Wen, Y. H ; Zhou, S ; Zhu, Z. Z</creatorcontrib><description>Hybrid systems consisting of graphene and various two-dimensional materials would provide more opportunities for achieving desired electronic and optoelectronic properties. Here, we focus on a superlattice composed of graphene and monolayer MoS2. The geometric and electronic structures of the superlattice have been studied by using density functional theory. The possible stacking models, which are classified into four types, are considered. Our results revealed that all the models of graphene/MoS2 superlattices exhibit metallic electronic properties. Small band gaps are opened up at the K-point of the Brillouin zone for all the four structural models. Furthermore, a small amount of charge transfer from the graphene layer to the intermediate region of C–S layers is found. The band structure and the charge transfer together with the buckling distortion of the graphene layer in the superlattice indicate that the interaction between the stacking sheets in the superlattice is more than just the van der Waals interaction.</description><identifier>ISSN: 1932-7447</identifier><identifier>EISSN: 1932-7455</identifier><identifier>DOI: 10.1021/jp404080z</identifier><language>eng</language><publisher>Columbus, OH: American Chemical Society</publisher><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties ; Condensed matter: structure, mechanical and thermal properties ; Cross-disciplinary physics: materials science; rheology ; Electron states and collective excitations in thin films, multilayers, quantum wells, mesoscopic and nanoscale systems ; Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures ; Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals ; Exact sciences and technology ; Fullerenes and related materials; diamonds, graphite ; Materials science ; Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals ; Physics ; Specific materials ; Structure of solids and liquids; crystallography</subject><ispartof>Journal of physical chemistry. 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H</creatorcontrib><creatorcontrib>Zhou, S</creatorcontrib><creatorcontrib>Zhu, Z. Z</creatorcontrib><title>Structural and Electronic Properties of Superlattice Composed of Graphene and Monolayer MoS2</title><title>Journal of physical chemistry. C</title><addtitle>J. Phys. Chem. C</addtitle><description>Hybrid systems consisting of graphene and various two-dimensional materials would provide more opportunities for achieving desired electronic and optoelectronic properties. Here, we focus on a superlattice composed of graphene and monolayer MoS2. The geometric and electronic structures of the superlattice have been studied by using density functional theory. The possible stacking models, which are classified into four types, are considered. Our results revealed that all the models of graphene/MoS2 superlattices exhibit metallic electronic properties. Small band gaps are opened up at the K-point of the Brillouin zone for all the four structural models. Furthermore, a small amount of charge transfer from the graphene layer to the intermediate region of C–S layers is found. The band structure and the charge transfer together with the buckling distortion of the graphene layer in the superlattice indicate that the interaction between the stacking sheets in the superlattice is more than just the van der Waals interaction.</description><subject>Condensed matter: electronic structure, electrical, magnetic, and optical properties</subject><subject>Condensed matter: structure, mechanical and thermal properties</subject><subject>Cross-disciplinary physics: materials science; rheology</subject><subject>Electron states and collective excitations in thin films, multilayers, quantum wells, mesoscopic and nanoscale systems</subject><subject>Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures</subject><subject>Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals</subject><subject>Exact sciences and technology</subject><subject>Fullerenes and related materials; diamonds, graphite</subject><subject>Materials science</subject><subject>Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals</subject><subject>Physics</subject><subject>Specific materials</subject><subject>Structure of solids and liquids; crystallography</subject><issn>1932-7447</issn><issn>1932-7455</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2013</creationdate><recordtype>article</recordtype><recordid>eNpFkE9LxDAQxYMouK4e_Aa9eKxm8meTHqWsq7CisHoTyjRNsKXblCQ9rJ_eXZX19H6PNzMMj5BroLdAGdx1o6CCavp1QmZQcJYrIeXpkYU6JxcxdpRKToHPyMcmhcmkKWCf4dBky96aFPzQmuw1-NGG1NqYeZdtpr3pMaXW2Kz029FH2xyCVcDx0w72Z_3ZD77HnQ172rBLcuawj_bqT-fk_WH5Vj7m65fVU3m_zpFpSDkDEEAbbqwGTWtVO8EEQKOgACMbZZmTynHO6EIWaEBq6XChmEPpeA01n5Ob37sjRoO9CziYNlZjaLcYdhVTsiiY1v9zaGLV-SkM-68qoNWhuupYHf8G0NpguQ</recordid><startdate>20130725</startdate><enddate>20130725</enddate><creator>Li, X. 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D</creatorcontrib><creatorcontrib>Yu, S</creatorcontrib><creatorcontrib>Wu, S. Q</creatorcontrib><creatorcontrib>Wen, Y. H</creatorcontrib><creatorcontrib>Zhou, S</creatorcontrib><creatorcontrib>Zhu, Z. Z</creatorcontrib><collection>Pascal-Francis</collection><jtitle>Journal of physical chemistry. C</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Li, X. D</au><au>Yu, S</au><au>Wu, S. Q</au><au>Wen, Y. H</au><au>Zhou, S</au><au>Zhu, Z. Z</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Structural and Electronic Properties of Superlattice Composed of Graphene and Monolayer MoS2</atitle><jtitle>Journal of physical chemistry. C</jtitle><addtitle>J. Phys. Chem. C</addtitle><date>2013-07-25</date><risdate>2013</risdate><volume>117</volume><issue>29</issue><spage>15347</spage><epage>15353</epage><pages>15347-15353</pages><issn>1932-7447</issn><eissn>1932-7455</eissn><abstract>Hybrid systems consisting of graphene and various two-dimensional materials would provide more opportunities for achieving desired electronic and optoelectronic properties. Here, we focus on a superlattice composed of graphene and monolayer MoS2. The geometric and electronic structures of the superlattice have been studied by using density functional theory. The possible stacking models, which are classified into four types, are considered. Our results revealed that all the models of graphene/MoS2 superlattices exhibit metallic electronic properties. Small band gaps are opened up at the K-point of the Brillouin zone for all the four structural models. Furthermore, a small amount of charge transfer from the graphene layer to the intermediate region of C–S layers is found. The band structure and the charge transfer together with the buckling distortion of the graphene layer in the superlattice indicate that the interaction between the stacking sheets in the superlattice is more than just the van der Waals interaction.</abstract><cop>Columbus, OH</cop><pub>American Chemical Society</pub><doi>10.1021/jp404080z</doi><tpages>7</tpages></addata></record> |
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| source | American Chemical Society Journals |
| subjects | Condensed matter: electronic structure, electrical, magnetic, and optical properties Condensed matter: structure, mechanical and thermal properties Cross-disciplinary physics: materials science rheology Electron states and collective excitations in thin films, multilayers, quantum wells, mesoscopic and nanoscale systems Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Electronic structure of nanoscale materials : clusters, nanoparticles, nanotubes, and nanocrystals Exact sciences and technology Fullerenes and related materials diamonds, graphite Materials science Nanoscale materials: clusters, nanoparticles, nanotubes, and nanocrystals Physics Specific materials Structure of solids and liquids crystallography |
| title | Structural and Electronic Properties of Superlattice Composed of Graphene and Monolayer MoS2 |
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