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Molecular ordering effect of regioregular poly(3-hexylthiophene) using sulfur K-edge X-ray absorption spectroscopy

硫黄K殻X線吸収分光を用いたレジオレギュラーポリ(3-ヘキシルチオフェン)の分子配向効果

池浦 広美*; 関口 哲弘 

Ikeura, Hiromi*; Sekiguchi, Tetsuhiro

硫黄K殻吸収端におけるX線吸収分光法によりレジオレギュラーポリ(3-ヘキシルチオフェン)(RR-P3HT)の空軌道の電子構造を調べた。角度依存XAS法により薄膜のポリマー主鎖が良く配列し、Si基板面に対しedge-on配向構造をとることが見出された。$$pi$$-$$pi$$スタックによりフェルミレベル近傍の価電子バンドの底は粉末P3HTより0.3eV低エネルギーとなった。$$pi$$-$$pi$$スタック相互作用は最低非占有分子軌道(LUMO)のエネルギーレベルの低下を引き起こし、パワー変換効率をよくする効果をもたらす。

The electronic structure of the unoccupied conduction band of regioregular poly(3-hexylthiophene) (RR-P3HT) was investigated by X-ray absorption spectroscopy (XAS) near the sulfur K-edge. Angle-dependent XAS studies revealed that polymer chains in films are well aligned and oriented edge-on with respect to the Si substrate. It was clearly observed that the bottom of the conduction band near the Fermi level in a $$pi$$-$$pi$$ stacking film is lower (0.3 eV) than that in a powder. It was demonstrated that $$pi$$-$$pi$$ stacking interactions improve the power conversion efficiency through the reduction of the lowest unoccupied molecular orbital (LUMO) energy level.

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パーセンタイル:50.47

分野:Physics, Applied

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