Anisotropic electron mobility in fluorene-PPV and fluorene-MEH-PPV.

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dc.contributor.authorMagalhães, Carlos Eduardo Tavares de
dc.contributor.authorSilva, Marcio M. da
dc.contributor.authorSavedra, Ranylson Marcello Leal
dc.contributor.authorSavedra, Melissa Fabíola Siqueira
dc.date.accessioned2018-02-02T12:43:25Z
dc.date.available2018-02-02T12:43:25Z
dc.date.issued2017
dc.description.abstractPolyfluorene copolymers are attractive semiconductor materials, in particular for applications in the organic electronics field. They are versatile to be chemically modified and allow a tuning of the emission to cover the entire visible spectrum. A better understanding of the fundamental aspects of the nature of electronic structure and charge transport properties contribute to the improvement of optoelectronic properties of polymeric materials. Here, we provide a structure–property relationship for models of fluorene-PPV and fluorene-MEH-PPV copolymers, using molecular quantummechanics modelling. The anisotropy is discussed revisitingMulliken’s transitionmomenttheory. Accordingly, our results show that electron mobility occurs preferentially intrachain for both copolymers. Moreover, the interchain electron mobility has the most propensity to occur via π-stacking interactions.pt_BR
dc.identifier.citationMAGALHÃES, C. E. T. de et al. Anisotropic electron mobility in fluorene-PPV and fluorene-MEH-PPV. Molecular Physics, v. 115, p. 357-363, 2017. Disponível em: <http://www.tandfonline.com/doi/full/10.1080/00268976.2016.1265679?scroll=top&needAccess=true>. Acesso em: 16 jan. 2018.pt_BR
dc.identifier.doihttps://doi.org/10.1080/00268976.2016.1265679
dc.identifier.issn1362-3028
dc.identifier.urihttp://www.repositorio.ufop.br/handle/123456789/9419
dc.identifier.uri2http://www.tandfonline.com/doi/full/10.1080/00268976.2016.1265679?scroll=top&needAccess=truept_BR
dc.language.isoen_USpt_BR
dc.rightsrestritopt_BR
dc.subjectSemiconductor polymerspt_BR
dc.subjectElectronic transitionspt_BR
dc.subjectMolecular quantum mechanicspt_BR
dc.subjectElectron mobilitypt_BR
dc.titleAnisotropic electron mobility in fluorene-PPV and fluorene-MEH-PPV.pt_BR
dc.typeArtigo publicado em periodicopt_BR
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