Dataset of optical and electronic properties for MoS2-graphene vertical heterostructures and MoS2-graphene-Au heterointerfaces
The computational and experimental data presented in this paper refer to the research article “First-Principles Calculations Integrated with Experimental Optical and Electronic Properties for MoS2-graphene Heterostructures and MoS2-graphene-Au Heterointerfaces”. The computational data includes struc...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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Elsevier
2023-08-01
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| Series: | Data in Brief |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2352340923004596 |
| _version_ | 1797744096548225024 |
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| author | Sanju Gupta Panagiota Pimenidou Miguel Garcia Shivanshi Das Nicholas Dimakis |
| author_facet | Sanju Gupta Panagiota Pimenidou Miguel Garcia Shivanshi Das Nicholas Dimakis |
| author_sort | Sanju Gupta |
| collection | DOAJ |
| description | The computational and experimental data presented in this paper refer to the research article “First-Principles Calculations Integrated with Experimental Optical and Electronic Properties for MoS2-graphene Heterostructures and MoS2-graphene-Au Heterointerfaces”. The computational data includes structural information, electronic and optical properties, and data to calculate the work functions for various molybdenum disulfide and graphene heterostructures and their heterointerfaces with gold. The optical properties calculations include the frequency-dependent dielectric function, the refractive index, the reflectivity, the extinction coefficient, and the energy loss function. These properties were calculated using the independent particle approximation (IPA). As for the experimental optoelectronic properties, we measured photoluminescence spectra (optical), Raman spectra (vibrational), work function (surface electronic property), and local photoconductivity (semiconducting behavior) of graphene-MoS2 heterointerfaces in addition to individual graphene and MoS2 layers on gold. The variation in the exciton bands, the Raman bands, and in the average work function elucidated the semiconducting n-p junction behavior. |
| first_indexed | 2024-03-12T15:04:50Z |
| format | Article |
| id | doaj.art-e66e1c8f537b4e438906e5852f66f3d6 |
| institution | Directory Open Access Journal |
| issn | 2352-3409 |
| language | English |
| last_indexed | 2024-03-12T15:04:50Z |
| publishDate | 2023-08-01 |
| publisher | Elsevier |
| record_format | Article |
| series | Data in Brief |
| spelling | doaj.art-e66e1c8f537b4e438906e5852f66f3d62023-08-13T04:54:00ZengElsevierData in Brief2352-34092023-08-0149109341Dataset of optical and electronic properties for MoS2-graphene vertical heterostructures and MoS2-graphene-Au heterointerfacesSanju Gupta0Panagiota Pimenidou1Miguel Garcia2Shivanshi Das3Nicholas Dimakis4Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA 16802, (USA); Department of Physics, University of Central Florida, Orlando, FL 32816, (USA); Corresponding author at: Department of Materials Science and Engineering, The Pennsylvania State University, University Park, PA 16802, (USA).Department of Mechanical Engineering, University of West Attica, Athens, GreeceMathematics and Science Academy, University of Texas-Rio Grande Valley, Edinburg, TX 78539, (USA)Allen High School, Allen, TX 75002, (USA)Department of Physics and Astronomy, University of Texas-Rio Grande Valley, Edinburg, TX 78539, (USA); Corresponding author.The computational and experimental data presented in this paper refer to the research article “First-Principles Calculations Integrated with Experimental Optical and Electronic Properties for MoS2-graphene Heterostructures and MoS2-graphene-Au Heterointerfaces”. The computational data includes structural information, electronic and optical properties, and data to calculate the work functions for various molybdenum disulfide and graphene heterostructures and their heterointerfaces with gold. The optical properties calculations include the frequency-dependent dielectric function, the refractive index, the reflectivity, the extinction coefficient, and the energy loss function. These properties were calculated using the independent particle approximation (IPA). As for the experimental optoelectronic properties, we measured photoluminescence spectra (optical), Raman spectra (vibrational), work function (surface electronic property), and local photoconductivity (semiconducting behavior) of graphene-MoS2 heterointerfaces in addition to individual graphene and MoS2 layers on gold. The variation in the exciton bands, the Raman bands, and in the average work function elucidated the semiconducting n-p junction behavior.http://www.sciencedirect.com/science/article/pii/S2352340923004596MoS2/graphene/AuHeterostructuresDFTBand structureWork functionOptical properties |
| spellingShingle | Sanju Gupta Panagiota Pimenidou Miguel Garcia Shivanshi Das Nicholas Dimakis Dataset of optical and electronic properties for MoS2-graphene vertical heterostructures and MoS2-graphene-Au heterointerfaces Data in Brief MoS2/graphene/Au Heterostructures DFT Band structure Work function Optical properties |
| title | Dataset of optical and electronic properties for MoS2-graphene vertical heterostructures and MoS2-graphene-Au heterointerfaces |
| title_full | Dataset of optical and electronic properties for MoS2-graphene vertical heterostructures and MoS2-graphene-Au heterointerfaces |
| title_fullStr | Dataset of optical and electronic properties for MoS2-graphene vertical heterostructures and MoS2-graphene-Au heterointerfaces |
| title_full_unstemmed | Dataset of optical and electronic properties for MoS2-graphene vertical heterostructures and MoS2-graphene-Au heterointerfaces |
| title_short | Dataset of optical and electronic properties for MoS2-graphene vertical heterostructures and MoS2-graphene-Au heterointerfaces |
| title_sort | dataset of optical and electronic properties for mos2 graphene vertical heterostructures and mos2 graphene au heterointerfaces |
| topic | MoS2/graphene/Au Heterostructures DFT Band structure Work function Optical properties |
| url | http://www.sciencedirect.com/science/article/pii/S2352340923004596 |
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