https://scholars.lib.ntu.edu.tw/handle/123456789/425111
標題: | Band structure engineering for low band gap polymers based on 3-hexylthiophene and thienopyrazine | 作者: | CHI-YANG CHAO Chao, Chung Hsiang Chen, Lung Pin Hung, Ying Chieh SHIANG-TAI LIN WEI-FANG SU |
公開日期: | 1-十二月-2011 | 來源出版物: | ACS National Meeting Book of Abstracts | 摘要: | Four new low band conjugated copolymers, named as P1-P4, consisting of electron-donating units (3-hexylthiophene, 3HT) and electron-accepting units (2,3-diethylthieno[3,4-b]pyrazine, ETP) in different molar ratios (from 1:1 to 4:1); as well as a conjugated copolymer comprising of 9,9'-dioctylfluorene, 3HT and ETP (denoted as PBF) were synthesized via Suzuki coupling. The chemical structures, molecular weights, thermal stability as well as photophysical, electrochemical and photovoltaic properties were studied. All polymers exhibited bimodal optical absorptions and low optical band gaps. Theoretical calculations based on density function theory with the B3LYP functional and the 6-31G* basis set were performed to retrieve the information of geometric structures, electronic energy levels and molecular orbitals of these copolymers. It is found that the incorporation of ETP would significantly lower the LUMO and slightly elevate the HOMO. The break of coplanarity along the main chain had a strong effect on HOMO but appeared trivial to LUMO in this system. |
URI: | https://scholars.lib.ntu.edu.tw/handle/123456789/425111 | ISSN: | 00657727 | DOI: | https://api.elsevier.com/content/abstract/scopus_id/84861081523 |
顯示於: | 材料科學與工程學系 |
在 IR 系統中的文件,除了特別指名其著作權條款之外,均受到著作權保護,並且保留所有的權利。