Two-dimensional polaron coherence in Poly(3-hexylthiophene)

C. M Pochas; Hajime Yamagata; F. C. Spano

doi:10.1117/12.2064182

9 September 2014 Two-dimensional polaron coherence in Poly(3-hexylthiophene)

C. M Pochas, Hajime Yamagata, F. C. Spano

Proceedings Volume 9165, Physical Chemistry of Interfaces and Nanomaterials XIII; 916509 (2014) https://doi.org/10.1117/12.2064182
Event: SPIE NanoScience + Engineering, 2014, San Diego, California, United States

Abstract

The two-dimensional coherence function corresponding to positively charged polarons (“holes”) in poly(3- hexylthiophene) π-stacks is calculated based on a Holstein-style Hamiltonian which treats electronic coupling, vibronic coupling and disorder on equal footing. Assuming a model of isotropic site-energy disorder, the hole is found to be delocalized between 1-2 nm along the polymer chain and between 0.5-1 nm along the stacking axis.

Citation Download Citation

C. M Pochas, Hajime Yamagata, and F. C. Spano "Two-dimensional polaron coherence in Poly(3-hexylthiophene)", Proc. SPIE 9165, Physical Chemistry of Interfaces and Nanomaterials XIII, 916509 (9 September 2014); https://doi.org/10.1117/12.2064182

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