Effect of Pt Decoration on the Optical Properties of Pristine and Defective MoS<sub>2</sub>: An Ab-Initio Study

Effect of Pt Decoration on the Optical Properties of Pristine and Defective MoS<sub>2</sub>: 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<sub>2</sub> surface and a platinum atom, calculating the optical properties of the resulting material. We explored three init...

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Bibliographic Details
Main Authors: Juan Manuel Ramírez-de-Arellano, Ali Fransuani Jiménez-González, Mónica Canales, Luis Fernando Magaña
Format: Article
Language:English
Published: MDPI AG 2022-09-01
Series:International Journal of Molecular Sciences
Subjects:
ab-initio
DFT calculations
2D materials
MoS<sub>2</sub>
optical properties
platinum
Online Access:https://www.mdpi.com/1422-0067/23/19/11199

Internet

https://www.mdpi.com/1422-0067/23/19/11199

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