DC Field | Value | Language |
---|---|---|
dc.contributor.author | Jung, SC | - |
dc.contributor.author | Kang, MH | - |
dc.date.accessioned | 2016-04-01T01:43:06Z | - |
dc.date.available | 2016-04-01T01:43:06Z | - |
dc.date.created | 2009-08-13 | - |
dc.date.issued | 2007-02-01 | - |
dc.identifier.issn | 0039-6028 | - |
dc.identifier.other | 2007-OAK-0000006605 | - |
dc.identifier.uri | https://oasis.postech.ac.kr/handle/2014.oak/23549 | - |
dc.description.abstract | We have performed density-functional theory calculations to study the atomic structure of the K/Pd(100)-p(2 x 2) and -c(2 x 2) surfaces formed at 0.25 ML and 0.5 ML, respectively. We find that K atoms prefer the hollow site with the K adsorption height 2.44 angstrom for p(2 x 2) and 2.50 angstrom c(2 x 2). The first interlayer spacing (d(12)) of the Pd(100) substrate appears slightly contracted from the bulk value as Ad(12) = -0.8% and -0.3% for p(2 x 2) and c(2 x 2), respectively. The calculated contraction Delta d(12) = -0.3% for c(2 x 2) is not in accord with the expansion Ad(12) = +1.3% reported by a low-energy electron diffraction (LEED) study. As the origin of this difference, a possibility of hydrogen contamination of the surface sample used in the LEED study is suggested: Our calculations show that the d(12) of K/Pd(100)-c(2 x 2) increases linearly with the coverage of H coadsorption, which leads to an estimation for the H coverage of the surface sample as 0. 1-0.4 ML. (c) 2006 Elsevier B.V. All rights reserved. | - |
dc.description.statementofresponsibility | X | - |
dc.language | English | - |
dc.publisher | ELSEVIER SCIENCE BV | - |
dc.relation.isPartOf | SURFACE SCIENCE | - |
dc.subject | density functional calculations | - |
dc.subject | surface relaxation and reconstruction | - |
dc.subject | chemisorption | - |
dc.subject | palladium | - |
dc.subject | potassium | - |
dc.subject | hydrogen | - |
dc.subject | ALKALI-METAL ADSORPTION | - |
dc.subject | HYDROGEN ADSORPTION | - |
dc.subject | LEED ANALYSIS | - |
dc.subject | PD(100) | - |
dc.subject | POTASSIUM | - |
dc.subject | RELAXATION | - |
dc.subject | PALLADIUM | - |
dc.subject | RHODIUM | - |
dc.subject | LI | - |
dc.title | Surface structure of K/Pd(100) and the effect of H coadsorption: Density functional theory calculations | - |
dc.type | Article | - |
dc.contributor.college | 물리학과 | - |
dc.identifier.doi | 10.1016/j.susc.2006.11.017 | - |
dc.author.google | Jung, SC | - |
dc.author.google | Kang, MH | - |
dc.relation.volume | 601 | - |
dc.relation.issue | 3 | - |
dc.relation.startpage | 852 | - |
dc.relation.lastpage | 857 | - |
dc.contributor.id | 10105469 | - |
dc.relation.journal | SURFACE SCIENCE | - |
dc.relation.index | SCI급, SCOPUS 등재논문 | - |
dc.relation.sci | SCI | - |
dc.collections.name | Journal Papers | - |
dc.type.rims | ART | - |
dc.identifier.bibliographicCitation | SURFACE SCIENCE, v.601, no.3, pp.852 - 857 | - |
dc.identifier.wosid | 000244372900037 | - |
dc.date.tcdate | 2019-01-01 | - |
dc.citation.endPage | 857 | - |
dc.citation.number | 3 | - |
dc.citation.startPage | 852 | - |
dc.citation.title | SURFACE SCIENCE | - |
dc.citation.volume | 601 | - |
dc.contributor.affiliatedAuthor | Kang, MH | - |
dc.identifier.scopusid | 2-s2.0-33846368029 | - |
dc.description.journalClass | 1 | - |
dc.description.journalClass | 1 | - |
dc.description.wostc | 2 | - |
dc.type.docType | Article | - |
dc.subject.keywordPlus | ALKALI-METAL ADSORPTION | - |
dc.subject.keywordPlus | HYDROGEN ADSORPTION | - |
dc.subject.keywordPlus | LEED ANALYSIS | - |
dc.subject.keywordPlus | PD(100) | - |
dc.subject.keywordPlus | POTASSIUM | - |
dc.subject.keywordPlus | RELAXATION | - |
dc.subject.keywordPlus | PALLADIUM | - |
dc.subject.keywordPlus | RHODIUM | - |
dc.subject.keywordPlus | LI | - |
dc.subject.keywordAuthor | density functional calculations | - |
dc.subject.keywordAuthor | surface relaxation and reconstruction | - |
dc.subject.keywordAuthor | chemisorption | - |
dc.subject.keywordAuthor | palladium | - |
dc.subject.keywordAuthor | potassium | - |
dc.subject.keywordAuthor | hydrogen | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical | - |
dc.relation.journalWebOfScienceCategory | Physics, Condensed Matter | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.relation.journalResearchArea | Chemistry | - |
dc.relation.journalResearchArea | Physics | - |
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