文献类型：期刊文献

英文题名：Unprecedentedly targeted customization of molecular energy levels with auxiliary-groups in organic solar cell sensitizers

作者：Xie, Yongshu;Wu, Wenjun;Zhu, Haibo;Liu, Jingchuan;Zhang, Weiwei;Tian, He;Zhu, Wei-Hong[1]

机构：[1]E China Univ Sci & Technol, Collaborat Innovat Ctr Coal Based Energy I CCE, Key Lab Adv Mat, Shanghai 200237, Peoples R China; E China Univ Sci & Technol, Collaborat Innovat Ctr Coal Based Energy I CCE, Inst Fine Chem, Shanghai Key Lab Funct Mat Chem, Shanghai 200237, Peoples R China

年份：2016

卷号：7

期号：1

起止页码：544

外文期刊名：CHEMICAL SCIENCE

收录：;WOS:【SCI-EXPANDED(收录号:WOS:000366826900065)】；

基金：This work was supported by NSFC for Creative Research Groups (21421004) and Distinguished Young Scholars (21325625), NSFC/China, Oriental Scholarship, Fundamental Research Funds for the Central Universities (WJ1416005 and WJ1315025), and the Scientific Committee of Shanghai (14ZR1409700 and 15XD1501400) for financial support.

语种：英文

摘要：In dye-sensitized solar cells (DSSCs), the HOMO-LUMO energy gap of organic sensitizers should be large enough to enable efficient electron injection and dye regeneration. However, the LUMOs of most practical organic dyes are always too high, making energy "waste". In order to deepen the LUMOs, we focus on the targeted modulation of the molecular energy levels by embedding an electron donor or acceptor into the skeleton of a typical D-pi-A model. The electron-rich group of 3,4-ethylenedioxythiophene (EDOT) lifts up the HOMO level with little influence on the LUMO, while the electron-deficient group of benzothiadiazole (BTD) or benzooxadiazole (BOD) mainly lowers the customized LUMO level. As a consequence, the auxiliary group change from EDOT (dye WS-53) to BOD (dye WS-55) brings forth a huge photoelectric conversion efficiency (PCE) increase by 38 fold from 0.24 to 9.46% based on an I-/I-3(-) redox couple, and even reaching a high PCE of 10.14% with WS-55 under 0.3 sunlight irradiation.