Structure of P3HT in the solid state

dc.contributor.authorOliveira, Eliezer Fernando de [UNESP]
dc.contributor.authorLavarda, Francisco Carlos [UNESP]
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-12-03T13:11:46Z
dc.date.available2014-12-03T13:11:46Z
dc.date.issued2013-09-15
dc.description.abstractPoly(3-hexylthiophene) (P3HT) is a polymer widely used in organic photovoltaic devices. Discrepancies in information exist in the literature about its morphological structure in solution and in the solid state. This work is a theoretical study, in which the structure of P3HT in the solid state is deduced from its structure in solution and comparisons with optical absorption data. The results indicate that P3HT is not planar, either in solution or in the solid state. However, the effective conjugation length in the solid state is similar to that of a planar chain. (c) 2013 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2013, 51, 1350-1354en
dc.description.affiliationUNESP Univ Estadual Paulista, POSMAT Programa Posgrad Ciencia & Tecnol Mat, Bauru, SP, Brazil
dc.description.affiliationUniv Estadual Paulista UNESP, Fac Ciencias, Dept Fis, BR-17033360 Bauru, SP, Brazil
dc.description.affiliationUnespUNESP Univ Estadual Paulista, POSMAT Programa Posgrad Ciencia & Tecnol Mat, Bauru, SP, Brazil
dc.description.affiliationUnespUniv Estadual Paulista UNESP, Fac Ciencias, Dept Fis, BR-17033360 Bauru, SP, Brazil
dc.description.sponsorshipConselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq)
dc.description.sponsorshipCenter for Scientific Computing (NCC/GridUNESP) at Sao Paulo State University (UNESP)
dc.format.extent1350-1354
dc.identifierhttp://dx.doi.org/10.1002/polb.23338
dc.identifier.citationJournal Of Polymer Science Part B-polymer Physics. Hoboken: Wiley-blackwell, v. 51, n. 18, p. 1350-1354, 2013.
dc.identifier.doi10.1002/polb.23338
dc.identifier.issn0887-6266
dc.identifier.lattes9457018963105073
dc.identifier.urihttp://hdl.handle.net/11449/113520
dc.identifier.wosWOS:000325915400005
dc.language.isoeng
dc.publisherWiley-Blackwell
dc.relation.ispartofJournal of Polymer Science Part B: Polymer Physics
dc.relation.ispartofjcr2.499
dc.relation.ispartofsjr0,837
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.subjectcomputer modelingen
dc.subjectconducting polymersen
dc.subjectconjugated polymersen
dc.subjectsolid-state structureen
dc.titleStructure of P3HT in the solid stateen
dc.typeArtigo
dcterms.licensehttp://olabout.wiley.com/WileyCDA/Section/id-406071.html
dcterms.rightsHolderWiley-Blackwell
unesp.author.lattes9457018963105073
unesp.campusUniversidade Estadual Paulista (Unesp), Faculdade de Ciências, Baurupt
unesp.departmentFísica - FCpt

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