Browsing by Author "Silva, Marcio M. da"

Now showing 1 - 1 of 1
  • No Thumbnail Available
    Item
    Anisotropic electron mobility in fluorene-PPV and fluorene-MEH-PPV.
    (2017) Magalhães, Carlos Eduardo Tavares de; Silva, Marcio M. da; Savedra, Ranylson Marcello Leal; Savedra, Melissa Fabíola Siqueira
    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.