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Black Phosphorene/MoS2 van der Waals heterostructure: Electronic and optical properties

dc.contributor.authorGonzález-Reyes R
dc.contributor.authorCorrea J.D
dc.contributor.authorNava-Maldonado F.M
dc.contributor.authorRodríguez-Magdaleno K.A
dc.contributor.authorMora-Ramos M.E
dc.contributor.authorMartínez-Orozco J.C.
dc.date.accessioned2024-07-31T21:06:50Z
dc.date.available2024-07-31T21:06:50Z
dc.date.created2024
dc.identifier.issn9214526
dc.identifier.urihttp://hdl.handle.net/11407/8406
dc.descriptionIn this study, we use density functional theory to calculate the optical and electronic properties of a black-phosphorene/MoS2 stack. We have considered different exchange–correlation functionals to account for the effects of van der Waals interaction and examined the impact of stacking order/layers alignment on the opto-electronic properties. Our findings reveal that the heterostructure exhibits a reduction in band gap and a modification of optical properties compared to single monolayers. The optical response was evaluated using an independent particle approximation to get the dielectric function's imaginary part, which showed a strong absorption peak in the visible and ultraviolet regions. This feature could be helpful for optoelectronic applications. Nonetheless, the stacking order has a negligible effect on the electronic and optical properties of the BP/MoS2 bilayer. © 2023 Elsevier B.V.
dc.language.isoeng
dc.publisherElsevier B.V.
dc.relation.isversionofhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85177025324&doi=10.1016%2fj.physb.2023.415489&partnerID=40&md5=5ae20c7cb3c0cca9df9285a8f0576ff5
dc.sourcePhysica B: Condensed Matter
dc.sourcePhys B Condens Matter
dc.sourceScopus
dc.subject2D-materialseng
dc.subjectDFTeng
dc.subjectMoS2eng
dc.subjectPhosphoreneeng
dc.subjectStackingeng
dc.subjectvdWeng
dc.subjectDensity functional theoryeng
dc.subjectElectronic propertieseng
dc.subjectEnergy gapeng
dc.subjectLayered semiconductorseng
dc.subjectMonolayerseng
dc.subjectOptical propertieseng
dc.subjectSulfur compoundseng
dc.subjectVan der Waals forceseng
dc.subject2d-materialeng
dc.subjectDensity-functional-theoryeng
dc.subjectDFTeng
dc.subjectElectronic and optical propertieseng
dc.subjectOptical and electronic propertieseng
dc.subjectPhosphoreneeng
dc.subjectStacking ordereng
dc.subjectStackingseng
dc.subjectVan der Waaleng
dc.subjectVdweng
dc.subjectMolybdenum compoundseng
dc.titleBlack Phosphorene/MoS2 van der Waals heterostructure: Electronic and optical propertieseng
dc.typearticle
dc.rights.accessrightsinfo:eu-repo/semantics/restrictedAccess
dc.type.spaArtículo
dc.identifier.doi10.1016/j.physb.2023.415489
dc.relation.citationvolume673
dc.publisher.facultyFacultad de Ciencias Básicasspa
dc.affiliationGonzález-Reyes, R., Unidad Académica de Física, Universidad Autónoma de Zacatecas, Calzada Solidaridad esquina con Paseo La Bufa S/N, Zac., Zacatecas, C.P. 98060, Mexico
dc.affiliationCorrea, J.D., Facultad de Ciencias Básicas, Universidad de Medellín, Medellín, Colombia
dc.affiliationNava-Maldonado, F.M., Unidad Académica de Ciencias Químicas, Universidad Autónoma de Zacatecas, Campus Universitario UAZ Siglo XXI Carretera Zacatecas-Guadalajara Km. 6, Ejido La Escondida, Zac., Zacatecas, C.P.98160, Mexico
dc.affiliationRodríguez-Magdaleno, K.A., Unidad Académica de Ciencias Químicas, Universidad Autónoma de Zacatecas, Campus Universitario UAZ Siglo XXI Carretera Zacatecas-Guadalajara Km. 6, Ejido La Escondida, Zac., Zacatecas, C.P.98160, Mexico
dc.affiliationMora-Ramos, M.E., Centro de Investigación en Ciencias, Instituto de Investigación en Ciencias Básicas y Aplicadas, Universidad Autónoma del Estado de Morelos, Ave. Universidad 1001, Cuernavaca, Morelos, C.P. 62209, Mexico
dc.affiliationMartínez-Orozco, J.C., Unidad Académica de Física, Universidad Autónoma de Zacatecas, Calzada Solidaridad esquina con Paseo La Bufa S/N, Zac., Zacatecas, C.P. 98060, Mexico
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dc.type.versioninfo:eu-repo/semantics/publishedVersion
dc.identifier.reponamereponame:Repositorio Institucional Universidad de Medellín
dc.identifier.repourlrepourl:https://repository.udem.edu.co/
dc.identifier.instnameinstname:Universidad de Medellín


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