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Effect of Pt Decoration on the Optical Properties of Pristine and Defective MoS(2): An Ab-Initio Study

Using structural relaxation calculations and first-principles molecular dynamics (FPMD), we performed numerical simulations to explore the interaction of a 2D MoS(2) surface and a platinum atom, calculating the optical properties of the resulting material. We explored three initial positions for the...

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Detalles Bibliográficos
Autores principales:	Ramírez-de-Arellano, Juan Manuel, Jiménez-González, Ali Fransuani, Canales, Mónica, Magaña, Luis Fernando
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9569481/ https://www.ncbi.nlm.nih.gov/pubmed/36232499 http://dx.doi.org/10.3390/ijms231911199

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