DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kwon, Sung Hyun | ko |
dc.contributor.author | Lee, So Young | ko |
dc.contributor.author | Kim, Hyoung-Juhn | ko |
dc.contributor.author | Kim, Hee-Tak | ko |
dc.contributor.author | Lee, Seung Geol | ko |
dc.date.accessioned | 2018-12-20T08:06:39Z | - |
dc.date.available | 2018-12-20T08:06:39Z | - |
dc.date.created | 2018-11-20 | - |
dc.date.created | 2018-11-20 | - |
dc.date.created | 2018-11-20 | - |
dc.date.created | 2018-11-20 | - |
dc.date.issued | 2018-07 | - |
dc.identifier.citation | ACS APPLIED NANO MATERIALS, v.1, no.7, pp.3251 - 3258 | - |
dc.identifier.issn | 2574-0970 | - |
dc.identifier.uri | http://hdl.handle.net/10203/248775 | - |
dc.description.abstract | Full atomistic molecular dynamics simulations were performed to provide detailed information on the morphologies of Pt/C catalyst with varying poly(tetrafuoroethylene) (PTFE) binder contents. Changes in the surface configuration and PTFE coverage on Pt particles with changing binder content were examined on the molecular level; this coverage can affect the catalytic performance of Pt particles and PTFE binding. The PTFE binder content in the prepared solutions ranged from 4.0 to 35.1 wt %. From Pt-PTFE pair correlation analysis, the coordination number of this pair increased from 0.43 to 1.23 as the PTFE binder content increased from 4.0 to 35.1 wt %, with a concomitant 40.0 to 84.0% change in coverage over the Pt surface. At low PTFE content, the PTFE binder was dispersed between Pt particles and the carbons on the Pt/C surface to form a triple-phase boundary. Subsequently, Pt particles become increasingly covered by PTFE with increasing binder content. However, no significant changes were observed when the PTFE content exceeded 20.0 wt %; we expect that the catalytic performance of Pt will significantly decrease at PTFE binder contents greater than 20.0 wt %. Considering the Pt-retaining role of the binder, we conclude that the optimum PTFE binder content is less than 20.0 wt % for the ∼2.6 nm diameter Pt particle used in this study. This investigation provides detailed information on polymer properties and electrode morphologies for high-temperature polymer electrolyte membrane fuel cells applications at various PTFE binder contents. | - |
dc.language | English | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.title | Molecular Dynamics Simulation to Reveal Effects of Binder Content on Pt/C Catalyst Coverage in a High-Temperature Polymer Electrolyte Membrane Fuel Cell | - |
dc.type | Article | - |
dc.identifier.wosid | 000461400800023 | - |
dc.identifier.scopusid | 2-s2.0-85063389047 | - |
dc.type.rims | ART | - |
dc.citation.volume | 1 | - |
dc.citation.issue | 7 | - |
dc.citation.beginningpage | 3251 | - |
dc.citation.endingpage | 3258 | - |
dc.citation.publicationname | ACS APPLIED NANO MATERIALS | - |
dc.identifier.doi | 10.1021/acsanm.8b00484 | - |
dc.contributor.localauthor | Kim, Hee-Tak | - |
dc.contributor.nonIdAuthor | Kwon, Sung Hyun | - |
dc.contributor.nonIdAuthor | Lee, So Young | - |
dc.contributor.nonIdAuthor | Kim, Hyoung-Juhn | - |
dc.contributor.nonIdAuthor | Lee, Seung Geol | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordAuthor | fuel cell | - |
dc.subject.keywordAuthor | high-temperature PEM | - |
dc.subject.keywordAuthor | molecular dynamics | - |
dc.subject.keywordAuthor | catalyst | - |
dc.subject.keywordAuthor | PTFE | - |
dc.subject.keywordAuthor | binder | - |
dc.subject.keywordAuthor | Pt/C | - |
dc.subject.keywordPlus | REDUCTION REACTION ORR | - |
dc.subject.keywordPlus | PHOSPHORIC-ACID | - |
dc.subject.keywordPlus | FORCE-FIELD | - |
dc.subject.keywordPlus | WATER | - |
dc.subject.keywordPlus | PERFORMANCE | - |
dc.subject.keywordPlus | CO | - |
dc.subject.keywordPlus | PEMFC | - |
dc.subject.keywordPlus | POLYBENZIMIDAZOLE | - |
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