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DC Field | Value | Language |
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dc.citation.endPage | 202 | - |
dc.citation.number | 3 | - |
dc.citation.startPage | 198 | - |
dc.citation.title | CARBON LETTERS | - |
dc.citation.volume | 16 | - |
dc.contributor.author | Kwon, Soonchul | - |
dc.contributor.author | Lee, Seung Geol | - |
dc.date.accessioned | 2024-03-28T17:05:09Z | - |
dc.date.available | 2024-03-28T17:05:09Z | - |
dc.date.created | 2024-03-28 | - |
dc.date.issued | 2015-09 | - |
dc.description.abstract | Carbon-supported Pt catalyst systems containing defect adsorption sites on the anode of direct methanol fuel cells were investigated, to elucidate the mechanisms of H-2 dissociation and carbon monoxide (CO) poisoning. Density functional theory calculations were carried out to determine the effect of defect sites located neighboring to or distant from the Pt catalyst on H-2 and CO adsorption properties, based on electronic properties such as adsorption energy and electronic band gap. Interestingly, the presence of neighboring defect sites led to a reduction of H-2 dissociation and CO poisoning due to atomic Pt filling the defect sites. At distant sites, H-2 dissociation was active on Pt, but CO filled the defect sites to form carbon pi-pi bonds, thus enhancing the oxidation of the carbon surface. It should be noted that defect sites can cause CO poisoning, thereby deactivating the anode gradually. | - |
dc.identifier.bibliographicCitation | CARBON LETTERS, v.16, no.3, pp.198 - 202 | - |
dc.identifier.doi | 10.5714/CL.2015.16.3.198 | - |
dc.identifier.issn | 1976-4251 | - |
dc.identifier.scopusid | 2-s2.0-84938383429 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/81883 | - |
dc.identifier.wosid | 000367811500006 | - |
dc.language | 영어 | - |
dc.publisher | KOREAN CARBON SOC | - |
dc.title | Influence of defective sites in Pt/C catalysts on the anode of direct methanol fuel cell and their role in CO poisoning: a first-principles study | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary; Materials Science, Multidisciplinary | - |
dc.relation.journalResearchArea | Chemistry; Materials Science | - |
dc.type.docType | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.description.journalRegisteredClass | kci | - |
dc.subject.keywordAuthor | defect | - |
dc.subject.keywordAuthor | platinum | - |
dc.subject.keywordAuthor | carbon | - |
dc.subject.keywordAuthor | carbon monoxide poisoning | - |
dc.subject.keywordAuthor | direct methanol fuel cell | - |
dc.subject.keywordAuthor | density functional theory | - |
dc.subject.keywordPlus | FUNCTIONAL THEORY APPROACH | - |
dc.subject.keywordPlus | GENERALIZED GRADIENT APPROXIMATION | - |
dc.subject.keywordPlus | POTENTIAL-ENERGY SURFACES | - |
dc.subject.keywordPlus | FULLERENE HYBRID SYSTEM | - |
dc.subject.keywordPlus | LI ADSORPTION | - |
dc.subject.keywordPlus | PTRU NANOPARTICLES | - |
dc.subject.keywordPlus | GRAPHENE | - |
dc.subject.keywordPlus | MECHANISMS | - |
dc.subject.keywordPlus | REDUCTION | - |
dc.subject.keywordPlus | HYDROGEN | - |
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