A DFT Study on the Adsorption of H2S and SO2 on Ni Doped MoS2 Monolayer

A DFT Study on the Adsorption of H2S and SO2 on Ni Doped MoS2 Monolayer

In this paper, a Ni-doped MoS2 monolayer (Ni-MoS2) has been proposed as a novel gas adsorbent to be used in SF6-insulated equipment. Based on the first-principles calculation, the adsorption properties of Ni-MoS2 to SO2 and H2S molecules, the main decomposition components of SF6 under a partial disc...

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Bibliographic Details
Main Authors: Huangli Wei, Yingang Gui, Jian Kang, Weibo Wang, Chao Tang
Format: Article
Language:English
Published: MDPI AG 2018-08-01
Series:Nanomaterials
Subjects:
SF6 decomposition components
Ni-MoS2 adsorbent
surface adsorption
DFT calculations
Online Access:http://www.mdpi.com/2079-4991/8/9/646

Internet

http://www.mdpi.com/2079-4991/8/9/646

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