Electronic properties of ZnPSe3-MoS2 Van der Waals heterostructure

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dc.contributor.authorSharma, Munish
dc.contributor.authorKumar, Ashok
dc.contributor.authorAhluwalia, P. K.
dc.date.accessioned2018-07-14T01:18:43Z
dc.date.accessioned2024-08-13T12:45:45Z
dc.date.available2018-07-14T01:18:43Z
dc.date.available2024-08-13T12:45:45Z
dc.date.issued2018
dc.description.abstractWe present a comparative study of electronic properties of ZnPSe3-MoS2 heterostructure using GGA-PBE functional and DFT-D2 method within the framework of density functional theory (DFT). Electronic band structure for the considered heterostructure shows a direct band gap semiconducting character. A decrease in band gap is observed with the heterostructuring as compared to their constituent pristine monolayers. The alignment of valance band maxima and conduction band minima on different layers in heterostructure indicate the physical separation of charge carriers. A work function of 5.31 eV has been calculated for ZnPSe3-MoS2 heterostructure. These results provide a physical basis for the potential applications of these ZnPSe3-MoS2 heterostructure in optoelectronic devices. ? 2018 Author(s).en_US
dc.identifier.citationSharma, M., Kumar, A., & Ahluwalia, P. K. (2018). Electronic properties of ZnPSe<inf>3</inf>-MoS<inf>2</inf>Van der Waals heterostructure. Paper presented at the AIP Conference Proceedings.en_US
dc.identifier.doi10.1063/1.5029059
dc.identifier.isbn978-0-7354-1634-5
dc.identifier.issn0094243X
dc.identifier.urihttp://10.2.3.109/handle/32116/1312
dc.identifier.urlhttps://aip.scitation.org/doi/abs/10.1063/1.5029059
dc.language.isoenen_US
dc.publisherAmerican Institute of Physics Inc.en_US
dc.titleElectronic properties of ZnPSe3-MoS2 Van der Waals heterostructureen_US
dc.title.journalAIP Conference Proceedings
dc.typeConference Paperen_US

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