Molecular Design of Near-IR Harvesting Unsymmetrical Squaraine Dyes

被引:44
作者
Kim, Sanghoon [1 ]
Mor, Gopal K. [2 ]
Paulose, Maggie [2 ]
Varghese, Oomman K. [2 ]
Baik, Chul [3 ]
Grimes, Craig A. [1 ]
机构
[1] Texas Tech Univ, Dept Elect & Comp Engn, Lubbock, TX 79409 USA
[2] Penn State Univ, Dept Elect Engn, Mat Res Inst, University Pk, PA 16802 USA
[3] Queens Univ, Dept Chem, Kingston, ON K7L 3N6, Canada
关键词
SENSITIZED SOLAR-CELLS; TRANSPARENT CONDUCTING OXIDE; NANOCRYSTALLINE TIO2 FILMS; EFFICIENT CO-SENSITIZATION; PHOTOELECTROCHEMICAL PROPERTIES; LIQUID ELECTROLYTE; NANOTUBE ARRAYS; NANOWIRE ARRAYS; ORGANIC-DYES; CYANINE DYE;
D O I
10.1021/la101257b
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
The functionalized unsymmetrical benzothiazole squaraine organic sensitizers 5-carboxy-2-({3-[(3-hexylbenzothiazol-2(3H)-ylidene}methyl]-2-hydroxy-4-oxo-2-cyclobuten-l-ylidenelmethyl)-1-hexy1-3,3-dimethyl-3H-indolium (hereafter named as SK-11) and 5-carboxy-2-0-[(3-hexyl-5-methoxybenzothiazol-2(311)-ylidene)methyl]-2-hydroxy-4-oxo-2cyclobuten- 1-ylidenelmethyl)-1-hexy1-3,3-dimethyl-3H-indolium (coded as SK-I2) are designed and developed to observe an intense and wider absorption band in the red/NIR wavelength region. DFT/TDDFT calculations have been performed on the two unsymmetrical squaraine sensitizers to gain insight into their electronic and optical properties. The utility of these dyes in solid state dye sensitized solar cells (SS-DSSCs) is demonstrated.
引用
收藏
页码:13486 / 13492
页数:7
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