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Electronic structure of regioregular poly(3-hexylthiophene)

Ikeura, Hiromi*; Sekiguchi, Tetsuhiro 

We have investigated the electronic property of RR-P3HT (regioregular-poly(3-hexylthiophene)) films with $$pi$$-$$pi$$ stacking using sulfur K-edge X-ray absorption fine structure (XAFS) spectroscopy. It was observed that the LUMO of $$pi$$-$$pi$$ stacking film is lower in energy by 0.3 eV than that of the polycrystalline powder, although these compounds are the same origin. This shift was explained that the interaction between the two molecules in co-facial leads to splitting of the LUMO level to LUMO and LUMO+1, resulting in reduced LUMO energy.

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