NO gas adsorption properties of MoS2 from monolayer to trilayer: a first-principles study

NO gas adsorption properties of MoS2 from monolayer to trilayer: a first-principles study

The NO gas adsorption properties of the monolayer, bilayer and trilayer MoS _2 has been studied based on the first-principles calculation. The interaction between NO and MoS _2 layers is weak physical adsorption, which is evidenced by the large distance (>3 Å), small adsorption energies (<0.9...

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Bibliographic Details
Main Authors: Zhaohua Wang, Yanni Zhang, Yanbing Ren, Miaomiao Wang, Zhiyong Zhang, Wu Zhao, Junfeng Yan, Chunxue Zhai, Jiangni Yun
Format: Article
Language:English
Published: IOP Publishing 2021-01-01
Series:Materials Research Express
Subjects:
first-principles calculation
NO
gas adsorption
monolayer MoS2
Online Access:https://doi.org/10.1088/2053-1591/abdb50

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