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제114회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Synthesis and characterization of low bandgap π-conjugated copolymers incorporating 4,7-bis(3,3'/4,4'-hexylthiophene-2-yl)benzo[c][2,1,3]thiadiazole units for photovoltaic application

2014년 8월 29일 16시 29분 14초
POLY.O-14 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
금 12시 : 30분
고분자화학 - New Trends in Polymer Chemistry
저자 및
MOHAMED MOHAMED SHAKERABDEL W, Nabiha I. Abdo1, Ashraf A. El-Shehawy2,*, Ahmed A. El-Barbary1, 이재석3,*
광주과학기술원(GIST) 나노바이오재료전자공학과, Korea
1Department of Chemistry, Faculty of Science, Tanta University, Tanta 31527, Egypt, Egypt
2Department of Chemistry, Faculty of Science, Kafr El-Sheikh University, Kafr El-Sheikh, Egypt
3광주과학기술원(GIST) 신소재공학과, Korea
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승인 3건
4,7-Bis(3,3'/4,4'-hexylthiophene-2-yl)benzo[c][2,1,3]thiadiazoles (HT?BT?HT) were used as building blocks to construct a series of low bandgap π-conjugated copolymers for photovoltaic applications. The desired copolymers were obtained by incorporating the HT?BT?HT comonomers together with donor or acceptor units, such as 3,4-ethylenedioxythiophene (EDOT), bis-EDOT, thieno[3,4-b]pyrazine (TP), and 2,3-dimethyl-TP, via a palladium-catalyzed Stille cross-coupling method. A facile synthetic method has also been developed for the synthesis of several EDOT- and TP-based copolymers via direct C?H arylation of EDOT,bis-EDOT, and TP derivatives using the commercially available catalyst Pd(OAc)2 under Heck-type experimental conditions (Jeffery method). For all of the synthesized copolymers, moving the hexyl side chains of the HT unit in the HT?BT?HT comonomers from 3,3'-positions (close to BT, as in P1?P4) to 4,4'-positions (away from BT, as in P5?P8) led to a significant red shift of the UV-vis absorption spectrum, a decrease of the energy bandgap, an increase of the glass transition temperature, and more promising photovoltaic performances. The thin-film copolymer P7 incorporating TP units (?TP?HT?BT?HT?)n exhibited the most extended absorption (beyond 1000 nm) and the lowest optical bandgap (1.24 eV) among the synthesized copolymers. According to time-dependent density functional theory calculations, the TP unit, in contrast to EDOT, has its lowest unoccupied molecular orbital (LUMO) at the same level as BT. An extended p-conjugation along the TP and BT units leads to low-lying LUMO levels of the resulting copolymer P7 and in turn its reduced bandgap. The power conversion efficiencies (PCEs) of organic photovoltaic devices employing copolymers P1?P8 were measured in the configuration of ITO/PEDOT:PSS/ copolymer (P1?P8) : PC60BM (1 : 1 w/w)/Al. Copolymer P7 in particular showed the highest PCE of 3.32%.