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Volume 8
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10.3390/app8102010
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Article

Mono- and Bi-Molecular Adsorption of SF6 Decomposition Products on Pt Doped Graphene: A First-Principles Investigation

by
Yongqian Wu
1,
Shaojian Song
1,*,
Dachang Chen
2 and
Xiaoxing Zhang
2,3
1
School of Electrical Engineering, Guangxi University, Nanning 530004, China
2
School of Electrical Engineering, Wuhan University, Wuhan 400044, China
3
State Key Laboratory of Power Transmission Equipment & System Security and New Technology, Chongqing University, Chongqing 400044, China
*
Author to whom correspondence should be addressed.
Appl. Sci. 2018, 8(10), 2010; https://doi.org/10.3390/app8102010
Submission received: 25 September 2018 / Revised: 17 October 2018 / Accepted: 19 October 2018 / Published: 22 October 2018
(This article belongs to the Section Nanotechnology and Applied Nanosciences)
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Abstract

Based on the first-principles of density functional theory, the SF6 decomposition products including single molecule (SO2F2, SOF2, SO2), double homogenous molecules (2SO2F2, 2SOF2, 2SO2) and double hetero molecules (SO2 and SOF2, SO2 and SO2F2, SOF2 and SO2F2) adsorbed on Pt doped graphene were discussed. The adsorption parameters, electron transfer, electronic properties and energy gap was investigated. The adsorption of SO2, SOF2 and SO2F2 on the surface of Pt-doped graphene was a strong chemisorption process. The intensity of chemical interactions between the molecule and the Pt-graphene for the above three molecules was SO2F2 > SOF2 > SO2. The change of energy gap was also studied and according to the value of energy gap, the conductivity of Pt-graphene before and after adsorbing different gas molecules can be evaluated.
Keywords: SF6 decomposition components; Pt modified graphene; gas adsorption; density functional theory SF6 decomposition components; Pt modified graphene; gas adsorption; density functional theory

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MDPI and ACS Style

Wu, Y.; Song, S.; Chen, D.; Zhang, X. Mono- and Bi-Molecular Adsorption of SF6 Decomposition Products on Pt Doped Graphene: A First-Principles Investigation. Appl. Sci. 2018, 8, 2010. https://doi.org/10.3390/app8102010

AMA Style

Wu Y, Song S, Chen D, Zhang X. Mono- and Bi-Molecular Adsorption of SF6 Decomposition Products on Pt Doped Graphene: A First-Principles Investigation. Applied Sciences. 2018; 8(10):2010. https://doi.org/10.3390/app8102010

Chicago/Turabian Style

Wu, Yongqian, Shaojian Song, Dachang Chen, and Xiaoxing Zhang. 2018. "Mono- and Bi-Molecular Adsorption of SF6 Decomposition Products on Pt Doped Graphene: A First-Principles Investigation" Applied Sciences 8, no. 10: 2010. https://doi.org/10.3390/app8102010

APA Style

Wu, Y., Song, S., Chen, D., & Zhang, X. (2018). Mono- and Bi-Molecular Adsorption of SF6 Decomposition Products on Pt Doped Graphene: A First-Principles Investigation. Applied Sciences, 8(10), 2010. https://doi.org/10.3390/app8102010

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