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Black Phosphorene/MoS2 van der Waals heterostructure: Electronic and optical properties
dc.contributor.author | González-Reyes R | |
dc.contributor.author | Correa J.D | |
dc.contributor.author | Nava-Maldonado F.M | |
dc.contributor.author | Rodríguez-Magdaleno K.A | |
dc.contributor.author | Mora-Ramos M.E | |
dc.contributor.author | Martínez-Orozco J.C. | |
dc.date.accessioned | 2024-07-31T21:06:50Z | |
dc.date.available | 2024-07-31T21:06:50Z | |
dc.date.created | 2024 | |
dc.identifier.issn | 9214526 | |
dc.identifier.uri | http://hdl.handle.net/11407/8406 | |
dc.description | In 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.iso | eng | |
dc.publisher | Elsevier B.V. | |
dc.relation.isversionof | https://www.scopus.com/inward/record.uri?eid=2-s2.0-85177025324&doi=10.1016%2fj.physb.2023.415489&partnerID=40&md5=5ae20c7cb3c0cca9df9285a8f0576ff5 | |
dc.source | Physica B: Condensed Matter | |
dc.source | Phys B Condens Matter | |
dc.source | Scopus | |
dc.subject | 2D-materials | eng |
dc.subject | DFT | eng |
dc.subject | MoS2 | eng |
dc.subject | Phosphorene | eng |
dc.subject | Stacking | eng |
dc.subject | vdW | eng |
dc.subject | Density functional theory | eng |
dc.subject | Electronic properties | eng |
dc.subject | Energy gap | eng |
dc.subject | Layered semiconductors | eng |
dc.subject | Monolayers | eng |
dc.subject | Optical properties | eng |
dc.subject | Sulfur compounds | eng |
dc.subject | Van der Waals forces | eng |
dc.subject | 2d-material | eng |
dc.subject | Density-functional-theory | eng |
dc.subject | DFT | eng |
dc.subject | Electronic and optical properties | eng |
dc.subject | Optical and electronic properties | eng |
dc.subject | Phosphorene | eng |
dc.subject | Stacking order | eng |
dc.subject | Stackings | eng |
dc.subject | Van der Waal | eng |
dc.subject | Vdw | eng |
dc.subject | Molybdenum compounds | eng |
dc.title | Black Phosphorene/MoS2 van der Waals heterostructure: Electronic and optical properties | eng |
dc.type | article | |
dc.rights.accessrights | info:eu-repo/semantics/restrictedAccess | |
dc.type.spa | Artículo | |
dc.identifier.doi | 10.1016/j.physb.2023.415489 | |
dc.relation.citationvolume | 673 | |
dc.publisher.faculty | Facultad de Ciencias Básicas | spa |
dc.affiliation | González-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.affiliation | Correa, J.D., Facultad de Ciencias Básicas, Universidad de Medellín, Medellín, Colombia | |
dc.affiliation | Nava-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.affiliation | Rodríguez-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.affiliation | Mora-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.affiliation | Martínez-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.version | info:eu-repo/semantics/publishedVersion | |
dc.identifier.reponame | reponame:Repositorio Institucional Universidad de Medellín | |
dc.identifier.repourl | repourl:https://repository.udem.edu.co/ | |
dc.identifier.instname | instname:Universidad de Medellín |
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