Theoretical Design of Donor-acceptor Copolymers Based on C-, Si- and Ge-bridged Thieno[3,2-b]dithiop

来源 :第十二届全国量子化学会议 | 被引量 : 0次 | 上传用户:tanya1005
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  In this works,based on the reported polymer PCPDTTTTz(Pa1)[1] which includes electron-rich cyclopenta[2,1-b:3,4-b]dithiophene(CPDT),electron-withdrawing tetrazine(Tz)and bridge thiophene(T),we replaced CPDT with electron-rich dithienocyclopentadithiophene(DTTC),dithienosiloledithiophene(DTTSi)and dithienogermolodithiophene(DTTGe)in Pa1,and designed three(D-A)copolymers(Pa2,Pa3 and Pa4 as shown in Fig.1)in order to modify the electron-rich unit in D-A copolymers to improve the intrinsic properties of polymers for organic solar cell applications.The calculated results reveal that the designed polymers exhibit a lower orbital energy levels,a stronger and wider optical absorption,and good hole transport properties in comparison with that of Pa1.These results clearly indicated that the designed D-A copolymers Pa2-Pa4 based on C-,Si-and Ge-bridged thieno[3,2-b]dithiophene yield a good electronic and photophysical properties and thereby may act as a promising donor candidate for organic solar cell applications.
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