Mono- and Bi-Molecular Adsorption of SF6 Decomposition Products on Pt Doped Graphene: A First-Principles Investigation
Source abstract
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.
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Research context
OpenAlex topics: Graphene research and applications · Gas Sensing Nanomaterials and Sensors · Advancements in Battery Materials
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
School of Electrical Engineering, Guangxi University, Nanning 530004, China
School of Electrical Engineering, Wuhan University, Wuhan 400044, China
State Key Laboratory of Power Transmission Equipment & System Security and New Technology, Chongqing University, Chongqing 400044, China
Funding
Natural Science Foundation of Guangxi Province · National Natural Science Foundation of China
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