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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-MoS<sub>2</sub>) monolayer. Based on density functional theory (DFT), pur...

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Glavni autori: Wenjun Hou, Hongwan Mi, Ruochen Peng, Shudi Peng, Wen Zeng, Qu Zhou
Format: Artigo
Jezik:Inglês
Izdano: MDPI AG 2021-01-01
Serija:Nanomaterials
Teme:
sulfur hexafluoride
Ga-MoS<sub>2</sub>
density functional theory
adsorption properties
Online pristup:https://www.mdpi.com/2079-4991/11/2/314
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