The role of mobile organic radicals and ions (solitons,polarons and bipolarons) in the transport properties of doped conjugated polymers |
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Authors: | JL Bredas B Themans JM Andre RR Chance R Silbey |
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Affiliation: | Laboratoire de Chimie Théorique Appliquée, Facultés Universitaires Notre-Dame de la Paix, B-5000 Namur Belgium;Allied Corporation, Corporate Research Center, Morristown, NJ 07960 U.S.A.;Department of Chemistry and Center for Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139 U.S.A. |
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Abstract: | We discuss the formation of charged defects such as solitons, polarons and bipolarons, in doped conjugated polymers. We present the results of ab initio quality calculations on the modifications of geometric and electronic structures occurring upon doping. A transport model for spinless conduction through bipolarons applicable to doped polymers with or without degenerate ground state is described. |
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