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Molecular Structure Modulated Trap Distribution and Carrier Migration in Fluorinated Epoxy Resin

Surface charge accumulation on epoxy insulators is one of the most serious problems threatening the operation safety of the direct current gas-insulated transmission line (GIL), and can be efficiently inhibited by the surface modification technology. This paper investigated the mechanisms of fluorin...

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Autores principales: Li, Jin, Wang, Yufan, Ran, Zhaoyu, Yao, Hang, Du, Boxue, Takada, Tatsuo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7412268/
https://www.ncbi.nlm.nih.gov/pubmed/32640527
http://dx.doi.org/10.3390/molecules25133071
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author Li, Jin
Wang, Yufan
Ran, Zhaoyu
Yao, Hang
Du, Boxue
Takada, Tatsuo
author_facet Li, Jin
Wang, Yufan
Ran, Zhaoyu
Yao, Hang
Du, Boxue
Takada, Tatsuo
author_sort Li, Jin
collection PubMed
description Surface charge accumulation on epoxy insulators is one of the most serious problems threatening the operation safety of the direct current gas-insulated transmission line (GIL), and can be efficiently inhibited by the surface modification technology. This paper investigated the mechanisms of fluorination modulated surface charge behaviors of epoxy resin through quantum chemical calculation (QCC) analysis of the molecular structure. The results show that after fluorination, the surface charge dissipation process of the epoxy sample is accelerated by the introduced shallow trap sites, which is further clarified by the carrier mobility model. The electron distribution probability of the highest occupied molecular orbitals (HOMO) under positive charging and the lowest unoccupied molecular orbitals (LUMO) under negative charging shows distinctive patterns. It is illustrated that electrons are likely to aggregate locally around benzenes for the positively charged molecular structure, while electrons tend to distribute all along the epoxy chain under negatively charging. The calculated results verify that fluorination can modulate surface charge behaviors of epoxy resin through redesigning its molecular structure, trap distribution and charging patterns.
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spelling pubmed-74122682020-08-17 Molecular Structure Modulated Trap Distribution and Carrier Migration in Fluorinated Epoxy Resin Li, Jin Wang, Yufan Ran, Zhaoyu Yao, Hang Du, Boxue Takada, Tatsuo Molecules Communication Surface charge accumulation on epoxy insulators is one of the most serious problems threatening the operation safety of the direct current gas-insulated transmission line (GIL), and can be efficiently inhibited by the surface modification technology. This paper investigated the mechanisms of fluorination modulated surface charge behaviors of epoxy resin through quantum chemical calculation (QCC) analysis of the molecular structure. The results show that after fluorination, the surface charge dissipation process of the epoxy sample is accelerated by the introduced shallow trap sites, which is further clarified by the carrier mobility model. The electron distribution probability of the highest occupied molecular orbitals (HOMO) under positive charging and the lowest unoccupied molecular orbitals (LUMO) under negative charging shows distinctive patterns. It is illustrated that electrons are likely to aggregate locally around benzenes for the positively charged molecular structure, while electrons tend to distribute all along the epoxy chain under negatively charging. The calculated results verify that fluorination can modulate surface charge behaviors of epoxy resin through redesigning its molecular structure, trap distribution and charging patterns. MDPI 2020-07-06 /pmc/articles/PMC7412268/ /pubmed/32640527 http://dx.doi.org/10.3390/molecules25133071 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Communication
Li, Jin
Wang, Yufan
Ran, Zhaoyu
Yao, Hang
Du, Boxue
Takada, Tatsuo
Molecular Structure Modulated Trap Distribution and Carrier Migration in Fluorinated Epoxy Resin
title Molecular Structure Modulated Trap Distribution and Carrier Migration in Fluorinated Epoxy Resin
title_full Molecular Structure Modulated Trap Distribution and Carrier Migration in Fluorinated Epoxy Resin
title_fullStr Molecular Structure Modulated Trap Distribution and Carrier Migration in Fluorinated Epoxy Resin
title_full_unstemmed Molecular Structure Modulated Trap Distribution and Carrier Migration in Fluorinated Epoxy Resin
title_short Molecular Structure Modulated Trap Distribution and Carrier Migration in Fluorinated Epoxy Resin
title_sort molecular structure modulated trap distribution and carrier migration in fluorinated epoxy resin
topic Communication
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7412268/
https://www.ncbi.nlm.nih.gov/pubmed/32640527
http://dx.doi.org/10.3390/molecules25133071
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