dc.citation.endPage |
142 |
- |
dc.citation.number |
3 |
- |
dc.citation.startPage |
137 |
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dc.citation.title |
Textile Science and Engineering |
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dc.citation.volume |
52 |
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dc.contributor.author |
Kwon, Soonchul |
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dc.contributor.author |
Lee, Seung Geol |
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dc.date.accessioned |
2024-04-02T16:35:10Z |
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dc.date.available |
2024-04-02T16:35:10Z |
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dc.date.created |
2024-04-02 |
- |
dc.date.issued |
2015-06 |
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dc.description.abstract |
In this study, we performed density functional theory (DFT) calculations to elucidate the effect of sulfonic acid functional group on the hydrophilicity of polybenzimidazole (PBI). We investigated the adsorption of $H_2O$ molecules on sulfonated PBI (SPBI) and on disulfonated PBI (DSPBI) with cis- or trans-conformation. We analyzed electronic properties such as charge re-distribution and electronic band gap in terms of the optimized structure of PBI systems. We found that PBI with higher degree of sulfonation shows greater hydrophilicity and that trans-DSPBI shows greater hydrophilicity than cis-DSPBI. |
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dc.identifier.bibliographicCitation |
Textile Science and Engineering, v.52, no.3, pp.137 - 142 |
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dc.identifier.doi |
10.12772/TSE.2015.52.137 |
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dc.identifier.uri |
https://scholarworks.unist.ac.kr/handle/201301/81943 |
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dc.language |
영어 |
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dc.publisher |
한국섬유공학회 |
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dc.title |
Density Functional Theory Study on Polybenzimidazole with Sulfonic Acid Functional Group for PEMFC Applications |
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dc.type |
Article |
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dc.description.isOpenAccess |
FALSE |
- |
dc.identifier.kciid |
ART002011139 |
- |
dc.type.docType |
Article |
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dc.description.journalRegisteredClass |
kci |
- |