Superiority of D-A-D over D-A type of organic dyes for the application in dye-sensitized solar cell

被引:23
作者
Biswas, Santu [1 ]
Pramanik, Anup [1 ]
Ahmed, Tasnim [1 ]
Sahoo, Suman Kalyan [1 ]
Sarkar, Pranab [1 ]
机构
[1] Visva Bharati Univ, Dept Chem, Santini Ketan 731235, W Bengal, India
关键词
TETRAHYDROQUINOLINE DYES; ELECTRON INJECTION; MOLECULAR DESIGN; HIGH-EFFICIENCY; CHARGE-TRANSFER; TIO2; DONOR; PERFORMANCE; DFT; CONCOMITANT;
D O I
10.1016/j.cplett.2016.01.073
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We study the optoelectronic properties of some recently synthesized D-A-D chromophores which are susceptible for superior intramolecular charge transfer (ICT) property. Our first principle calculations reveal that, the chromophores have enhanced charge transfer probability in the excited state in comparison to their corresponding ground states indicating faster electron injection at the interface of dye-semiconductor composites. We compute the photovoltaic properties of the dyes with and without substitution and way out a root for optimizing the device performance. Finally, dye-TiO2 QD composite systems are studied as a model for realistic photovoltaic device. (C) 2016 Elsevier B.V. All rights reserved.
引用
收藏
页码:23 / 28
页数:6
相关论文
共 51 条
[1]   Adsorption of organic dyes on TiO2 surfaces in dye-sensitized solar cells: interplay of theory and experiment [J].
Anselmi, Chiara ;
Mosconi, Edoardo ;
Pastore, Mariachiara ;
Ronca, Enrico ;
De Angelis, Filippo .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2012, 14 (46) :15963-15974
[2]   Evidences of hot excited state electron injection from sensitizer molecules to TiO2 nanocrystalline thin films [J].
Asbury, JB ;
Wang, YQ ;
Hao, EC ;
Ghosh, HN ;
Lian, TQ .
RESEARCH ON CHEMICAL INTERMEDIATES, 2001, 27 (4-5) :393-406
[3]   Engineering Organic Sensitizers for Iodine-Free Dye-Sensitized Solar Cells: Red-Shifted Current Response Concomitant with Attenuated Charge Recombination [J].
Bai, Yu ;
Zhang, Jing ;
Zhou, Difei ;
Wang, Yinghui ;
Zhang, Min ;
Wang, Peng .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2011, 133 (30) :11442-11445
[4]   DENSITY-FUNCTIONAL THERMOCHEMISTRY .3. THE ROLE OF EXACT EXCHANGE [J].
BECKE, AD .
JOURNAL OF CHEMICAL PHYSICS, 1993, 98 (07) :5648-5652
[5]   Nature of photovoltaic action in dye-sensitized solar cells [J].
Cahen, D ;
Hodes, G ;
Grätzel, M ;
Guillemoles, JF ;
Riess, I .
JOURNAL OF PHYSICAL CHEMISTRY B, 2000, 104 (09) :2053-2059
[6]   Effect of tetrahydroquinoline dyes structure on the performance of organic dye-sensitized solar cells [J].
Chen, Ruikui ;
Yang, Xichuan ;
Tian, Haining ;
Wang, Xiuna ;
Hagfeldt, Anders ;
Sun, Licheng .
CHEMISTRY OF MATERIALS, 2007, 19 (16) :4007-4015
[7]   Tetrahydroquinoline dyes with different spacers for organic dye-sensitized solar cells [J].
Chen, Ruikui ;
Yang, Xichuan ;
Tian, Haining ;
Sun, Licheng .
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2007, 189 (2-3) :295-300
[8]   Time-dependent DFT study of [Fe(CN)6]4- sensitization of TiO2 nanoparticles [J].
De Angelis, F ;
Tilocca, A ;
Selloni, A .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 2004, 126 (46) :15024-15025
[9]   First Principles Design of Dye Molecules with Ullazine Donor for Dye Sensitized Solar Cells [J].
Feng, Jie ;
Jiao, Yang ;
Ma, Wei ;
Nazeeruddin, Md. K. ;
Graetzel, Michael ;
Meng, Sheng .
JOURNAL OF PHYSICAL CHEMISTRY C, 2013, 117 (08) :3772-3778
[10]  
Frisch M.J., 2016, Gaussian, V16