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http://www.repositorio.ufop.br/jspui/handle/123456789/9419
Título: | Anisotropic electron mobility in fluorene-PPV and fluorene-MEH-PPV. |
Autor(es): | Magalhães, Carlos Eduardo Tavares de Silva, Marcio M. da Savedra, Ranylson Marcello Leal Savedra, Melissa Fabíola Siqueira |
Palavras-chave: | Semiconductor polymers Electronic transitions Molecular quantum mechanics Electron mobility |
Data do documento: | 2017 |
Referência: | MAGALHÃES, 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. |
Resumo: | Polyfluorene 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. |
URI: | http://www.repositorio.ufop.br/handle/123456789/9419 |
Link para o artigo: | http://www.tandfonline.com/doi/full/10.1080/00268976.2016.1265679?scroll=top&needAccess=true |
DOI: | https://doi.org/10.1080/00268976.2016.1265679 |
ISSN: | 1362-3028 |
Aparece nas coleções: | DEFIS - Artigos publicados em periódicos |
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ARTIGO_AnisotropicElectronMobility.pdf Restricted Access | 964,05 kB | Adobe PDF | Visualizar/Abrir |
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