Title of article
Charge transport and radiative recombination in polythiophene crystals: a first-principles study
Author/Authors
Ruini، نويسنده , , A. and Bussi، نويسنده , , G. and Ferretti، نويسنده , , A. and Caldas، نويسنده , , M.J. and Molinari، نويسنده , , E.، نويسنده ,
Issue Information
دوماهنامه با شماره پیاپی سال 2003
Pages
3
From page
755
To page
757
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 highli
Keywords
Density-functional theory , optical absorption , charge transport , Polythiophene
Journal title
Synthetic Metals
Serial Year
2003
Journal title
Synthetic Metals
Record number
2079622
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