Exploring photophysical properties of metal-free coumarin sensitizers: an efficient strategy to improve the performance of dye-sensitized solar cells

被引:30
作者
Wang, Jinghui [1 ]
Li, Ming [1 ,2 ]
Qi, Dan [1 ]
Shen, Wei [1 ]
He, Rongxing [1 ,2 ]
Lin, Sheng Hsien [3 ,4 ]
机构
[1] Southwest Univ, Sch Chem & Chem Engn, Chongqing 400715, Peoples R China
[2] Southwest Univ, Educ Minist, Key Lab Luminescence & Real Time Anal, Chongqing 400715, Peoples R China
[3] Natl Chiao Tung Univ, Inst Mol Sci, Dept Appl Chem, Hsinchu 300, Taiwan
[4] Natl Chiao Tung Univ, Ctr Interdisciplinary Mol Sci, Hsinchu 300, Taiwan
基金
中国国家自然科学基金;
关键词
ELECTRON-TRANSFER DYNAMICS; EXCITED-STATE PROPERTIES; MOLECULAR DESIGN; CHARGE RECOMBINATION; ORGANIC SENSITIZERS; PI-A; TIO2; EXCITATIONS; DERIVATIVES; ABSORPTION;
D O I
10.1039/c4ra07904c
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
An efficient strategy was provided by adopting different numbers of electron-deficient units (pyrimidyl and quinolyl) into parent coumarin sensitizers to obtain excellent absorption in the short-wavelength region (B2 band), which eventually improves the performance of DSSCs. Density functional theory calculations were performed on both free dyes and dye-TiO2 complexes. As expected, introducing a single electron-deficient unit results in a positive influence on the power conversion efficiency (eta) of DSSCs because of the larger short-circuit current density (J(sc) is proportional to optical absorption (phi(LHE)), charge separation, dye regeneration (phi(reg)) and electron injection (phi(inject))) and the higher open circuit voltage (V-oc). The introduction of more pyrimidine facilitates charge separation and favors effective electron injection, whereas the second quinoline displays the opposite effect. The results give guidance to design promising candidates for future DSSCs applications.
引用
收藏
页码:53927 / 53938
页数:12
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