Anisotropic electron mobility in fluorene-PPV and fluorene-MEH-PPV.
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Date
2017
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Abstract
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.
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Keywords
Semiconductor polymers, Electronic transitions, Molecular quantum mechanics, Electron mobility
Citation
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.