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Electronic structure of regioregular poly(3-hexylthiophene)

レジオレギュラーポリ(3-ヘキシルチオフェン)の電子構造

池浦 広美*; 関口 哲弘 

Ikeura, Hiromi*; Sekiguchi, Tetsuhiro

ドナー有機太陽電池材料としてレジオレギュラーポリ(3-ヘキシルチオフェン)(RR-P3HT)の$$pi$$-$$pi$$積層膜を作製し、電子物性をX線吸収分光(XAFS)法により調べた。$$pi$$-$$pi$$積層RR-P3HTのX線吸収はRR-P3HTの粉末多結晶のそれに比較してS 1s $$rightarrow$$ LUMO吸収ピークにおいて0.3eVの低エネルギーシフトが観察された。LUMOレベルの安定化はRR-P3HTの分子凝集の$$pi$$-$$pi$$相互作用により生じることが理論的にも予測されており、エネルギー変換効率の改善に寄与する。

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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