We investigate two phases of polythiophene crystals by means of first-principles calculations, focusing on the effect of the different structure on charge transport parameters and luminescence quantum yield. The resulting microscopic interpretation highlights the impact of solid-state interchain coupling on both transport and emissive properties of semiconducting polymer crystals.
Charge transport and radiative recombination in polythiophene crystals: a first-principles study / Ruini, A.; Bussi, G.; Ferretti, A.; Caldas, M. J.; Molinari, E.. - In: SYNTHETIC METALS. - ISSN 0379-6779. - ELETTRONICO. - 139:3(2003), pp. 755-757. [10.1016/S0379-6779(03)00319-9]
Charge transport and radiative recombination in polythiophene crystals: a first-principles study
A. RUINI;BUSSI G.;FERRETTI A.;MOLINARI E.
2003
Abstract
We investigate two phases of polythiophene crystals by means of first-principles calculations, focusing on the effect of the different structure on charge transport parameters and luminescence quantum yield. The resulting microscopic interpretation highlights the impact of solid-state interchain coupling on both transport and emissive properties of semiconducting polymer crystals.
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