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Tao Liu and Alessandro Troisi Understanding the Microscopic Origin of the Very High Charge Mobility in PBTTT: Tolerance of Thermal Disorder Advanced Functional Materials 24

Article first published online: 24 SEP 2013 | DOI: 10.1002/adfm.201302069

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Shallow traps for the holes in semicrystalline PBTTT are healed by thermal conformational motions as revealed by large scale electronic structure calculations coupled with classical molecular dynamics. This phenomenon, not observed in other semicrystalline polymers, is possibly at the origin of the superior charge mobility measured in thin film transistors based on PBTTT.

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