Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 134, Issue 24, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.3600666
Keywords
carrier mobility; conducting polymers; organic semiconductors; polarons; polymer films
Funding
- National Basic Research Program of China [2009CB929204]
- National Natural Science Foundation (NSF) of China [11074146]
- NSF of Shandong Province [ZR2010AM026, ZR2010AM037]
- Independent Innovation Foundation of Shandong University [2009TS097]
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Polaron dynamics in a system of two randomly coupled polymer chains is simulated using a nonadiabatic evolution method. The simulations are performed within the framework of the Su-Schrieffer-Heeger model modified to include disordered interchain interactions and an external electric field. By analysing the polaron velocity statistically, we find that the polaron motion is determined by the competition between the electric field and the disordered interchain interactions. Polaron dynamics are classified into two types, weak-coupling dynamics and strong-coupling dynamics. It is found that the strength of interchain interactions is the dominant factor controlling charge propagation in weak-coupling dynamics, whereas the effects of disorder are dominant in strong-coupling dynamics. The charge carriers tend to have higher mobility for stronger interchain coupling, and interchain coupling disorder can be favorable for charge transport depending on the coupling strength and the electric field. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3600666]
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