First-Principle Insight into Ga-Doped MoS<sub>2</sub> for Sensing SO<sub>2</sub>, SOF<sub>2</sub> and SO<sub>2</sub>F<sub>2</sub>

First-Principle Insight into Ga-Doped MoS<sub>2</sub> for Sensing SO<sub>2</sub>, SOF<sub>2</sub> and SO<sub>2</sub>F<sub>2</sub>

First-principle calculations were carried out to simulate the three decomposition gases (SO<sub>2</sub>, SOF<sub>2</sub>, and SO<sub>2</sub>F<sub>2</sub>) of sulfur hexafluoride (SF<sub>6</sub>) on Ga-doped MoS<sub>2</sub> (Ga-M...

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Bibliographic Details
Main Authors: Wenjun Hou, Hongwan Mi, Ruochen Peng, Shudi Peng, Wen Zeng, Qu Zhou
Format: Article
Language:English
Published: MDPI AG 2021-01-01
Series:Nanomaterials
Subjects:
sulfur hexafluoride
Ga-MoS<sub>2</sub>
density functional theory
adsorption properties
Online Access:https://www.mdpi.com/2079-4991/11/2/314

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