Cluster Formation Effect of Water on Pristine and Defective MoS<sub>2</sub> Monolayers

Cluster Formation Effect of Water on Pristine and Defective MoS<sub>2</sub> Monolayers

The structure and electronic properties of the molybdenum disulfide (MoS<sub>2</sub>) monolayer upon water cluster adsorption are studied using density functional theory and the optical properties are further analyzed with the Bethe–Salpeter equation (BSE). Our results reveal that the wa...

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Bibliographic Details
Main Authors: Kangli Wang, Beate Paulus
Format: Article
Language:English
Published: MDPI AG 2023-01-01
Series:Nanomaterials
Subjects:
water cluster
molybdenum disulfide
optical properties
Bethe–Salpeter equation
Online Access:https://www.mdpi.com/2079-4991/13/2/229

Internet

https://www.mdpi.com/2079-4991/13/2/229

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