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ABSTRACT:
SUBMITTER: Wang K
PROVIDER: S-EPMC9864297 | biostudies-literature | 2023 Jan
REPOSITORIES: biostudies-literature
Nanomaterials (Basel, Switzerland) 20230104 2
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 water clusters are electron acceptors, and the acceptor tendency tends to increase with the size of the water cluster. The electronic band gap of both pristine and defective MoS<sub>2</sub> is rather insensitive to ...[more]