DC Field | Value | Language |
---|---|---|
dc.contributor.author | Ko, WS | - |
dc.contributor.author | Oh, JY | - |
dc.contributor.author | Shim, JH | - |
dc.contributor.author | Suh, JY | - |
dc.contributor.author | Yoon, WY | - |
dc.contributor.author | Lee, BJ | - |
dc.date.accessioned | 2021-12-03T20:42:20Z | - |
dc.date.available | 2021-12-03T20:42:20Z | - |
dc.date.created | 2015-02-11 | - |
dc.date.issued | 2014-08-04 | - |
dc.identifier.issn | 0360-3199 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/107979 | - |
dc.description.abstract | Inter-diffusion between vanadium and palladium coating layers in vanadium-based hydrogen separation membranes is investigated by using a computational approach based on first-principles calculations and semi-empirical atomistic simulations, paying attention to the surface stability and the prevention of the degradation of hydrogen permeability. It is found that the governing mechanism of the inter-diffusion is the grain boundary diffusion, and therefore a diffusion barrier based on the grain boundary segregation of impurities can be an efficient way to inhibit the inter-diffusion that causes the degradation. An interesting aspect in previous experimental works that showed a good resistance to the inter-diffusion by an addition of a trace amount of yttrium is discussed from the view point of the grain boundary segregation. An experiment that proves the validity of the present alloy design scheme (inhibition of inter-diffusion using grain boundary segregation) is carried out, and a process to maximize the sustainability of the membrane is also proposed. Copyright (C) 2014, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved. | - |
dc.language | English | - |
dc.publisher | ELSEVIER | - |
dc.relation.isPartOf | International Journal of Hydrogen Energy | - |
dc.title | Design of sustainable V-based hydrogen separation membranes based on grain boundary segregation | - |
dc.type | Article | - |
dc.identifier.doi | 10.1016/J.IJHYDENE.2014.06.023 | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | International Journal of Hydrogen Energy, v.39, no.23, pp.12031 - 12044 | - |
dc.identifier.wosid | 000340328800022 | - |
dc.citation.endPage | 12044 | - |
dc.citation.number | 23 | - |
dc.citation.startPage | 12031 | - |
dc.citation.title | International Journal of Hydrogen Energy | - |
dc.citation.volume | 39 | - |
dc.contributor.affiliatedAuthor | Lee, BJ | - |
dc.identifier.scopusid | 2-s2.0-84904726426 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | TOTAL-ENERGY CALCULATIONS | - |
dc.subject.keywordPlus | ELASTIC BAND METHOD | - |
dc.subject.keywordPlus | NI ALLOY MEMBRANES | - |
dc.subject.keywordPlus | PERMEATION CHARACTERISTICS | - |
dc.subject.keywordPlus | METAL MEMBRANES | - |
dc.subject.keywordPlus | SELF-DIFFUSION | - |
dc.subject.keywordPlus | SOLUTE SEGREGATION | - |
dc.subject.keywordPlus | RECENT PROGRESS | - |
dc.subject.keywordPlus | 1ST-PRINCIPLES | - |
dc.subject.keywordPlus | EMBRITTLEMENT | - |
dc.subject.keywordAuthor | Hydrogen separation membranes | - |
dc.subject.keywordAuthor | Inter-diffusion | - |
dc.subject.keywordAuthor | Grain boundary segregation | - |
dc.subject.keywordAuthor | Atomistic simulations | - |
dc.subject.keywordAuthor | Vanadium alloy | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Electrochemistry | - |
dc.relation.journalWebOfScienceCategory | Energy & Fuels | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Electrochemistry | - |
dc.relation.journalResearchArea | Energy & Fuels | - |
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