Effects of π-linker, anchoring group and capped carbazole at meso-substituted zinc-porphyrins on conversion efficiency of DSSCs

被引：35

作者：

Chitpakdee, Chirawat ^{[1
]}

Namuangruk, Supawadee ^{[1
]}

Suttisintong, Khomson ^{[1
]}

Jungsuttiwong, Siriporn ^{[2
]}

Keawin, Tinnagon ^{[2
]}

Sudyoadsuk, Taweesak ^{[2
]}

Sirithip, Kanokkorn ^{[3
]}

Promarak, Vinich ^{[4
,5
]}

Kungwan, Nawee ^{[6
]}

机构：

[1] NSTDA, Natl Nanotechnol Ctr, Klongluang 12120, Pathum Thani, Thailand

[2] Ubon Ratchathani Univ, Ctr Organ Elect & Alternat Energy, Ubon Ratchathani 34190, Thailand

[3] Roi Et Rajabhat Univ, Fac Arts & Sci, Dept Sci & Technol, Roi Et 45120, Thailand

[4] Suranaree Univ Technol, Sch Chem, Nakhon Ratchasima 30000, Thailand

[5] Suranaree Univ Technol, Ctr Excellence Innovat Chem, Inst Sci, Nakhon Ratchasima 30000, Thailand

[6] Chiang Mai Univ, Fac Sci, Dept Chem, Chiang Mai 50200, Thailand

来源：

DYES AND PIGMENTS | 2015年 / 118卷

关键词：

Porphyrin; Carbazole; DSSC; TD-DFT; Density functional theory (DFT); Conversion efficiency; SENSITIZED SOLAR-CELLS; DENSITY-FUNCTIONAL THEORY; CHARGE-TRANSFER; PHOTOVOLTAIC PROPERTIES; MESO-PHENYLPORPHYRINS; ELECTRONIC-PROPERTIES; MOLECULAR DESIGN; TIO2; DYES; DFT;

D O I：

10.1016/j.dyepig.2015.03.002

中图分类号：

O69 [应用化学];

学科分类号：

081704 ;

摘要：

A series of zinc-porphyrin based sensitizers, F1-F6, has been studied using theoretical calculations to investigate their performances in dye-sensitized solar cells (DSSCs). Three effects; (i) pi-Linker, (ii) anchoring group and (ii) capped carbazole at meso-substituted porphyrin core on the energy conversion efficiency of the DSSCs were evaluated. The results reveal that the increased conjugation length in pi-linker and use of cyanoacrylic acid as an anchoring group can enhance charge transfer ability from donor to acceptor group and further to TiO2 which leads to increasing of the current density of the devices. Capped carbazole unit does not significantly affect the electronic properties of the dyes but crucially helps in suppressing aggregation of the dyes on the TiO2 surface, then leads to higher conversion efficiency of the device. Therefore, we predict that F6 designed by taking advantages of all positive key parameters would be a promising sensitizer for higher efficient photovoltaic cell. (C) 2015 Elsevier Ltd. All rights reserved.

引用

页码：64 / 75

页数：12

共 45 条

[1] First-principles study of the excited-state properties of coumarin-derived dyes in dye-sensitized solar cells [J].

Agrawal, Saurabh ;

Dev, Pratibha ;

English, Niall J. ;

Thampi, K. Ravindranathan ;

MacElroy, J. M. D. .

JOURNAL OF MATERIALS CHEMISTRY, 2011, 21 (30) :11101-11108

[2] Gabedit-A Graphical User Interface for Computational Chemistry Softwares [J].

Allouche, Abdul-Rahman .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2011, 32 (01) :174-182

[3] DFT/TD-DFT molecular design of porphyrin analogues for use in dye-sensitized solar cells [J].

Balanay, Mannix P. ;

Kim, Dong Hee .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2008, 10 (33) :5121-5127

[4] Structures and excitation energies of Zn-tetraarylporphyrin analogues: A theoretical study [J].

Balanay, Mannix P. ;

Kim, Dong Hee .

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2009, 910 (1-3) :20-26

[5] Highly Efficient Mesoscopic Dye-Sensitized Solar Cells Based on Donor-Acceptor-Substituted Porphyrins [J].

Bessho, Takeru ;

Zakeeruddin, Shaik M. ;

Yeh, Chen-Yu ;

Diau, Eric Wei-Guang ;

Graetzel, Michael .

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION, 2010, 49 (37) :6646-6649

[6] Porphyrins as light harvesters in the dye-sensitised TiO2 solar cell [J].

Campbell, WM ;

Burrell, AK ;

Officer, DL ;

Jolley, KW .

COORDINATION CHEMISTRY REVIEWS, 2004, 248 (13-14) :1363-1379

[7] Highly Efficient Light-Harvesting Ruthenium Sensitizer for Thin-Film Dye-Sensitized Solar Cells [J].

Chen, Chia-Yuan ;

Wang, Mingkui ;

Li, Jheng-Ying ;

Pootrakulchote, Nuttapol ;

Alibabaei, Leila ;

Ngoc-le, Cevey-ha ;

Decoppet, Jean-David ;

Tsai, Jia-Hung ;

Graetzel, Carole ;

Wu, Chun-Guey ;

Zakeeruddin, Shaik M. ;

Graetzel, Michael .

ACS NANO, 2009, 3 (10) :3103-3109

[8] Density functional theory investigation of porphyrin diacid: electronic absorption spectrum and conformational inversion [J].

Chen, DM ;

Liu, X ;

He, TJ ;

Liu, FC .

CHEMICAL PHYSICS, 2003, 289 (2-3) :397-407

[9] Energies, structures, and electronic properties of molecules in solution with the C-PCM solvation model [J].

Cossi, M ;

Rega, N ;

Scalmani, G ;

Barone, V .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 2003, 24 (06) :669-681

[10] 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

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