Full metadata record
DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kim, Ji-Su | - |
dc.contributor.author | Kim, Byung-Kook | - |
dc.contributor.author | Kim, Yeong-Cheol | - |
dc.date.accessioned | 2024-01-20T06:02:48Z | - |
dc.date.available | 2024-01-20T06:02:48Z | - |
dc.date.created | 2021-09-05 | - |
dc.date.issued | 2015-10 | - |
dc.identifier.issn | 1533-4880 | - |
dc.identifier.uri | https://pubs.kist.re.kr/handle/201004/124963 | - |
dc.description.abstract | We investigated the effect of Cu alloying on S poisoning of Ni surfaces and nanoparticle morphologies using ab-initio thermodynamics calculations. Based on the Cu segregation energy and the S adsorption energy, the surface energy and nanoparticle morphology of pure Ni, pure Cu, and NiCu alloys were evaluated as functions of the chemical potential of S and the surface orientations of (100), (110), and (111). The constructed nanoparticle morphology was varied as a function of chemical potential of S. We find that the Cu added to Ni for NiCu alloys is strongly segregated into the top surface, and increases the S tolerance of the NiCu nanoparticles. | - |
dc.language | English | - |
dc.publisher | AMER SCIENTIFIC PUBLISHERS | - |
dc.subject | TOTAL-ENERGY CALCULATIONS | - |
dc.subject | SOFC ANODE | - |
dc.subject | HYDROGEN-PRODUCTION | - |
dc.subject | CATALYTIC-ACTIVITY | - |
dc.subject | SEGREGATION | - |
dc.subject | METALS | - |
dc.subject | GAS | - |
dc.title | Effect of Cu Alloying on S Poisoning of Ni Surfaces and Nanoparticle Morphologies Using Ab-Initio Thermodynamics Calculations | - |
dc.type | Article | - |
dc.identifier.doi | 10.1166/jnn.2015.11287 | - |
dc.description.journalClass | 1 | - |
dc.identifier.bibliographicCitation | JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, v.15, no.10, pp.8205 - 8210 | - |
dc.citation.title | JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY | - |
dc.citation.volume | 15 | - |
dc.citation.number | 10 | - |
dc.citation.startPage | 8205 | - |
dc.citation.endPage | 8210 | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.identifier.wosid | 000365554600145 | - |
dc.identifier.scopusid | 2-s2.0-84947266718 | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Nanoscience & Nanotechnology | - |
dc.relation.journalWebOfScienceCategory | Materials Science, Multidisciplinary | - |
dc.relation.journalWebOfScienceCategory | Physics, Applied | - |
dc.relation.journalWebOfScienceCategory | Physics, Condensed Matter | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Science & Technology - Other Topics | - |
dc.relation.journalResearchArea | Materials Science | - |
dc.relation.journalResearchArea | Physics | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | TOTAL-ENERGY CALCULATIONS | - |
dc.subject.keywordPlus | SOFC ANODE | - |
dc.subject.keywordPlus | HYDROGEN-PRODUCTION | - |
dc.subject.keywordPlus | CATALYTIC-ACTIVITY | - |
dc.subject.keywordPlus | SEGREGATION | - |
dc.subject.keywordPlus | METALS | - |
dc.subject.keywordPlus | GAS | - |
dc.subject.keywordAuthor | S Poisoning | - |
dc.subject.keywordAuthor | NiCu | - |
dc.subject.keywordAuthor | Surface Energy | - |
dc.subject.keywordAuthor | Nanoparticle Morphology | - |
dc.subject.keywordAuthor | Ab-Initio Thermodynamics | - |
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