DC Field | Value | Language |
---|---|---|
dc.contributor.author | Ko, WS | - |
dc.contributor.author | Jae-Hyeok Shim | - |
dc.contributor.author | Woo-Sang Jung | - |
dc.contributor.author | LEE, BYEONG JOO | - |
dc.date.accessioned | 2017-07-19T13:30:30Z | - |
dc.date.available | 2017-07-19T13:30:30Z | - |
dc.date.created | 2017-02-09 | - |
dc.date.issued | 2016-01-01 | - |
dc.identifier.issn | 0376-7388 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/37121 | - |
dc.description.abstract | First-principles calculations are performed to derive promising alloying elements which inhibit interdiffusion between vanadium and palladium-coating layers in vanadium-based hydrogen separation membranes. Paying attention to the inhibition of inter-diffusion by the grain boundary segregation of impurities, several physical features of various solute elements, grain boundary segregation, grain boundary embrittlement and solute-solute binding tendencies, are evaluated to construct a large database. Several alloying elements and their combinations similar to or even better than a previously reported yttrium are suggested for future experimental works by comprehensively analyzing these physical features. (C) 2015 Elsevier B.V. All rights reserved. | - |
dc.language | English | - |
dc.publisher | PERGAMON-ELSEVIER SCIENCE LTD | - |
dc.relation.isPartOf | Journal of Membrane Science | - |
dc.title | Computational screening of alloying elements for the development of sustainable V-based hydrogen separation membranes | - |
dc.type | Article | - |
dc.identifier.doi | 10.1016/J.MEMSCI.2015.09.050 | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | Journal of Membrane Science, v.497, pp.270 - 281 | - |
dc.identifier.wosid | 000363852200027 | - |
dc.date.tcdate | 2018-03-23 | - |
dc.citation.endPage | 281 | - |
dc.citation.startPage | 270 | - |
dc.citation.title | Journal of Membrane Science | - |
dc.citation.volume | 497 | - |
dc.contributor.affiliatedAuthor | LEE, BYEONG JOO | - |
dc.identifier.scopusid | 2-s2.0-84943374464 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.scptc | 0 | * |
dc.date.scptcdate | 2018-05-121 | * |
dc.type.docType | Article | - |
dc.subject.keywordPlus | TOTAL-ENERGY CALCULATIONS | - |
dc.subject.keywordPlus | GRAIN-BOUNDARY | - |
dc.subject.keywordPlus | METAL MEMBRANES | - |
dc.subject.keywordPlus | SEGREGATION | - |
dc.subject.keywordPlus | TRANSITION | - |
dc.subject.keywordPlus | IRON | - |
dc.subject.keywordAuthor | Hydrogen separation membranes | - |
dc.subject.keywordAuthor | First-principles calculations | - |
dc.subject.keywordAuthor | Inter-diffusion | - |
dc.subject.keywordAuthor | Grain boundary segregation | - |
dc.subject.keywordAuthor | Vanadium alloy | - |
dc.relation.journalWebOfScienceCategory | Engineering, Chemical | - |
dc.relation.journalWebOfScienceCategory | Polymer Science | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Engineering | - |
dc.relation.journalResearchArea | Polymer Science | - |
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