Journal
PHYSICAL REVIEW B
Volume 83, Issue 12, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.83.121306
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Funding
- National Science Foundation
- Center for Advanced Molecular Photovoltaics [KUS-C1-015-21]
- AFOSR [FA9550-09-1-0436]
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We quantify the degree of paracrystalline disorder in the pi-pi stacking direction of crystallites of a high performing semicrystalline semiconducting polymer with advanced x-ray line-shape analysis. Using density functional theory calculations to provide input to a simple tight-binding model, we obtain the density of states of a system of pi-pi stacked polymer chains with increasing amounts of paracrystalline disorder. We find that, for an aligned film of PBTTT, the paracrystalline disorder is 7.3%. This type of disorder induces a tail of trap states with a breadth of similar to 100 meV as determined through calculation. This finding agrees with previous device modeling and provides physical justification for the mobility edge model.
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