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donor-acceptor conjugated copolymer with high thermoelectric performance:A case study of the oxidation process within chemical doping

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Chinese Physics B 2022年第2期31卷 80-88页

作者： Liangjun Chen Wei Wang Shengqiang Xiao Xinfeng Tang State Key Laboratory of Advanced Technology for Materials Synthesis and Processing Wuhan University of TechnologyWuhan 430070China

The doping process and thermoelectric properties of donor-acceptor(D-A)type copolymers are investigated with the representative poly([2,6-4,8-di(5-ethylhexylthienyl)benzo[1,2-b;3,3-b]dithiophene]3-fluoro-2-[(2-ethylhexyl)-carbonyl]thieno[3,4-b]thiophenediyl))(PTB7-Th).The PTB7-Th is doped by Fe Cl;and only polarons are induced in its doped *** results reveal that the electron-rich donor units within PTB7-Th lose electrons preferentially at the initial stage of the oxidation and then the acceptor units begin to be oxidized at a high doping *** energy levels of polarons and the Fermi level of the doped PTB7-Th remain almost unchange with different doping ***,the morphology of the PTB7-Th films could be deteriorated as the doping levels are improved,which is one of the main reasons for the decrease of electrical conductivity at the later stage of *** best electrical conductivity and power factor are obtained to be 42.3 S·cm^(-1);and 33.9μW·mK^(-1),respectively,in the doped PTB7-Th film at room *** power factor is further improved to 38.3μW·mK^(-1);at 75℃.This work may provide meaningful experience for development of D-A type thermoelectric copolymers and may further improve the doping efficiency.

关键词： donor-acceptor copolymer doping oxidization process thermoelectric performance

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Theoretical predictions Ultra-small Effective Mass donor-acceptor copolymer from Super-exchange Perspective

Theoretical predictions Ultra-small Effective Mass Donor-Acc...

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中国化学会第30届学术年会

作者： Changli cheng Hua Geng Yuanping Yi Zhigang Shuai Department of Chemistry Tsinghua University Institut of Chemistry Chinese Academy of Sciences

We have systematically studied the super-exchange coupling for a series of donor-acceptor polymers based on Density Functional *** found that long-range super-exchange mechamsm make donor-acceptor copolymer with ultra-small effective *** novel understanding enable us predict and design a variety of polymer semiconductor with high charge mobility.

关键词： donor-acceptor copolymer Super-exchange mechanism

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Novel donor-acceptor copolymers Based on Dithienosilole and Ketone Modified Thieno[3,4-b]thiophene for Photovoltaic Application

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Chinese Journal of Chemistry 2013年第11期31卷 1455-1462页

作者： Lie Chen Shujiao Cai Xianbo Wang Yiwang Chen lnstitute of Polymers/Department of Chemist~ Nanchang University Nanchang Jiangxi 330031 China jiangxi Provincial Key Laboratory of New Energy Chemistry Nanchang University Nanchang Jiangxi 330031 China

Two novel donor-acceptor （D-A） copolymers containing dithienosilole （DTS） donor unit and ketone modified thieno[3,4-b]thiophene （TT） acceptor unit, namely, poly{4,4＇-bis（2-ethylhexyl）dithieno[3,2-b：2＇,Y-d]silole-5,5＇-diyl- alt-l-（thieno[3,4-b]thiophen-2-yl）-2-ethylhexan-l-one} （PDTSTT） and poly{4,4＇-bis（2-ethylhexyl）dithieno[3,2- b：2＇,3＇-d]silole-5,5＇-diyl-alt- 1-（4,6-bis（4-ethylhexylthien-2-yl）thieno[3,4-b]thiophen-2-yl）-2-ethylhexan- 1-one} （PD- TSDTTT）, were synthesized for the application in polymer solar cells （PSCs）, and the effects of thiophene bridge on the structural geometry and photovoiltaie performance have been investigated. The polymer PDTSTT and PDTSDTTT have the electrochemical bandgaps of 1.54 and 2.02 eV, together with low-lying HOMO energy levels of-5.47 and -5.37 eV, respectively. Molecular geometry simulation result shows that compared with PDTSTT, the insertion of thiophene bridge in PDTSDTTT can well relieve the steric hindrance between the TT and DTS unit, as confirmed by the reduced dihedral angle between DTS and DTTT unit. Under the illumination of AM 1.5G, 100 mW/cm2, the PSC based on PDTSDTTT/PC61BM （1 ： 1, w ： w） demonstrates a power conversion efficiency of 1.0%, which is significantly improved in comparison with the device based on PDTSTT/PC61BM （1 ： 2, w ： w） under the same experimental condition. This is because the enhanced planarity and increased effective conjugation of the main chain in PDTSDTTT promote the more favorable morphology for charge transportation, although PDTSTT possesses the broader absorption band than PDTSDTTT.

关键词： donor-acceptor copolymer molecular geometry photovoltaics

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