[15p-1F-1~14] 12.5 Organic solar cells

[15p-1F-3] Theoretical Study on Donor-Acceptor-Type Thiophene

〇Yutaka Imamura¹, Toru Matsui², Itaru Osaka³, Kazuo Takimiya³, Takahito Nakajima² (1.Tokyo Metropolitan Univ., 2.RIKEN AICS, 3.RIKEN CEMS)

Keywords:organic photovoltaics,frontier orbitals,polytheophene

Organic photovoltaics (OPV) has gathered attraction as a next-generation solar cell. This study investigates polytheophene, one of OPV materials, by density functional theory and time-dependent density functional theory. Frontier orbital energies of the polytheophene are examined. A new scheme for predicting energy levels of the polytheophene by a simple analytical model is proposed. Also, absorption spectra are also computed.