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Cited 26 time in webofscience Cited 23 time in scopus
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dc.contributor.authorLee, EC-
dc.contributor.authorChoi, YC-
dc.contributor.authorKim, WY-
dc.contributor.authorSingh, NJ-
dc.contributor.authorLee, S-
dc.contributor.authorShim, JH-
dc.contributor.authorKim, KS-
dc.date.accessioned2016-04-01T02:31:09Z-
dc.date.available2016-04-01T02:31:09Z-
dc.date.created2010-12-15-
dc.date.issued2010-10-
dc.identifier.issn0947-6539-
dc.identifier.other2010-OAK-0000022440-
dc.identifier.urihttps://oasis.postech.ac.kr/handle/2014.oak/25282-
dc.description.abstractGiven that half-metals are promising futuristic materials for spintronics, organic materials showing half-metal character are highly desirable for spintronic devices, not only owing to their weak spin-orbit and hyperfine interactions, but also their light and flexible properties. We predict that a two-dimensional organic 2,4,6-tri-(1,3,5-tri-azinyl)methyl radical polymer has half-metallic properties as well as a spontaneous magnetic ordering at ambient temperature. The quantum transmission is studied based on the nonequilibrium Green function theory coupled with density functional theory. The half-metallic property in the triazine-based polymer depends mainly on the nature of the p-band in contrast to of conventional half metals in which the nature of the d-band is more important.-
dc.description.statementofresponsibilityX-
dc.languageEnglish-
dc.publisherWILEY-V C H VERLAG GMBH-
dc.relation.isPartOfCHEMISTRY-A EUROPEAN JOURNAL-
dc.subjectgraphene-
dc.subjectmolecular modeling-
dc.subjectorganic half metals-
dc.subjectorganic electronics-
dc.subjectradicals-
dc.subjectZIGZAG GRAPHENE NANORIBBONS-
dc.subjectINITIO MOLECULAR-DYNAMICS-
dc.subjectTOTAL-ENERGY CALCULATIONS-
dc.subjectWAVE BASIS-SET-
dc.subjectSPIN TRANSPORT-
dc.subjectCARBON NANOTUBE-
dc.subjectMAGNETORESISTANCE-
dc.subjectSPINTRONICS-
dc.subjectFILMS-
dc.subjectMETALLICITY-
dc.titleA Radical Polymer as a Two-Dimensional Organic Half Metal-
dc.typeArticle-
dc.contributor.college화학과-
dc.identifier.doi10.1002/CHEM.201000858-
dc.author.googleLee, EC-
dc.author.googleChoi, YC-
dc.author.googleKim, WY-
dc.author.googleSingh, NJ-
dc.author.googleLee, S-
dc.author.googleShim, JH-
dc.author.googleKim, KS-
dc.relation.volume16-
dc.relation.issue40-
dc.relation.startpage12141-
dc.relation.lastpage12146-
dc.contributor.id10135228-
dc.relation.journalCHEMISTRY-A EUROPEAN JOURNAL-
dc.relation.indexSCI급, SCOPUS 등재논문-
dc.relation.sciSCI-
dc.collections.nameJournal Papers-
dc.type.rimsART-
dc.identifier.bibliographicCitationCHEMISTRY-A EUROPEAN JOURNAL, v.16, no.40, pp.12141 - 12146-
dc.identifier.wosid000284060200016-
dc.date.tcdate2019-02-01-
dc.citation.endPage12146-
dc.citation.number40-
dc.citation.startPage12141-
dc.citation.titleCHEMISTRY-A EUROPEAN JOURNAL-
dc.citation.volume16-
dc.contributor.affiliatedAuthorShim, JH-
dc.contributor.affiliatedAuthorKim, KS-
dc.identifier.scopusid2-s2.0-78249256319-
dc.description.journalClass1-
dc.description.journalClass1-
dc.description.wostc19-
dc.description.scptc13*
dc.date.scptcdate2018-05-121*
dc.type.docTypeArticle-
dc.subject.keywordPlusINITIO MOLECULAR-DYNAMICS-
dc.subject.keywordPlusTOTAL-ENERGY CALCULATIONS-
dc.subject.keywordPlusSPIN TRANSPORT-
dc.subject.keywordPlusGRAPHENE-
dc.subject.keywordPlusMAGNETORESISTANCE-
dc.subject.keywordPlusMETALLICITY-
dc.subject.keywordPlusSPINTRONICS-
dc.subject.keywordPlusTRANSITION-
dc.subject.keywordPlusNANOWIRE-
dc.subject.keywordPlusELECTRON-
dc.subject.keywordAuthorgraphene-
dc.subject.keywordAuthormolecular modeling-
dc.subject.keywordAuthororganic half metals-
dc.subject.keywordAuthororganic electronics-
dc.subject.keywordAuthorradicals-
dc.relation.journalWebOfScienceCategoryChemistry, Multidisciplinary-
dc.description.journalRegisteredClassscie-
dc.description.journalRegisteredClassscopus-
dc.relation.journalResearchAreaChemistry-

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심지훈SHIM, JI HOON
Dept of Chemistry
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