文献类型：期刊文献

英文题名：Insight into quinoxaline containing D-π-A dyes for dye-sensitized solar cells with cobalt and iodine based electrolytes: the effect of π-bridge on the HOMO energy level and photovoltaic performance

作者：Li, Xing[1];Hu, Yue[2];Sanchez-Molina, Irene[3];Zhou, Ying[1];Yu, Fengtao[1];Haque, Saif A.[3];Wu, Wenjun[1];Hua, Jianli[1];Tian, He[1];Robertson, Neil[2]

机构：[1]E China Univ Sci & Technol, Inst Fine Chem, Key Lab Adv Mat, Shanghai 200237, Peoples R China;[2]Univ Edinburgh, Sch Chem, Edinburgh EH9 3FJ, Midlothian, Scotland;[3]Univ London Imperial Coll Sci Technol & Med, Dept Chem, Nanostruct Mat & Devices Grp, London SW7 2AZ, England

年份：2015

卷号：3

期号：43

起止页码：21733

外文期刊名：JOURNAL OF MATERIALS CHEMISTRY A

收录：;EI(收录号：20154501517495);WOS:【SCI-EXPANDED(收录号:WOS:000364020400039)】；

基金：For financial support of this research, we thank the Science Fund for Creative Research Groups (21421004), the National Basic Research 973 Program (2013CB733700), and NSFC/China (21172073, 21372082, 21572062 and 91233207). Yue Hu thanks the China Scholarship Council and the University of Edinburgh for a studentship. This work has made use of the resources provided by the Edinburgh Compute and Data Facility (ECDF) (http://www.ecdf.ed.ac.uk/).

语种：英文

外文关键词：Orbits - Charge transfer - Electrochemical impedance spectroscopy - Molecular orbitals - Solar power generation - Photovoltaic effects - Iodine - Electrolytes - Cobalt - Density functional theory

摘要：Three new quinoxaLine-based organic dyes (AQ201, AQ202, and AQ203), containing thiophene, 3,4-ethyLenedioxythiophene ([DOT), and cycLopentadithiophene (CPDT) in the r-system, respectively, have been designed and synthesized for dye-sensitized solwar cells. Different from the traditional donorr-bridge-acceptor (D-r-A) type dyes, the dissymmetric r-bridge on both sides of quinoxaLine enabLes great flexibility in fine-tuning the absorption spectra and energy Levels of the resultant molecules. By changing the r-bridge between the bulky triphenylamine donor and quinoxaLine group, a negative shift was observed regarding the highest occupied moLecular orbital (HOMO) LeveLs of AQ201, AQ202, and AQ203 dyes (0.88, 0.79, and 0.72 V vs. NHE-respectively), while the Lowest unoccupied moLecuLar orbital (LUMO) LeveLs of these dyes remained the same (-1.19, -1.20, and -1.20 V vs. NHE respectively), which, in turn, resulted in a gradual shift of the absorption spectra of AQ dyes. The absorption spectra properties of the dyes are aka analysed by density functional theory. The calculated results in combination with the experiments indicate that the absorption bands are mainly dominated by charge transfer transitions from the HOMO and HOMO-1 orbitaL to the LUMO. In all cases, the [Co(bpy)3+2/3 redox-shutte afforded superior soIar ceLL performance compared to I-/I-3(-). More importanty, dye AQ202 shows the highest power conversion efficiency (PC[) of 8.37% with the [Co(bpy)312 /3 based electrolyte by maintaining a balance between the spectraL absorption range and driving force for dye regeneration. Transient photocurrent decay experiments as well as electrochemical impedance spectroscopy indicate that the Lower HOMO LeveLs Lead to higher eLectron Lifetime and dye regeneration efficiency.