Study of an indoline-phenothiazine based organic dye for Dye-Sensitized Solar Cells. Theoretical calculations and experimental data

Organic Electronics

Volumn 25, Issue , 2015, Pages 66-73

  Kumar, Challuri Vijay ^a   Raptis, Dimitrios ^a,b   Koukaras, Emmanuel N ^a,b   Sygellou, Lamprini ^a   Lianos, Panagiotis ^a,b  

^a INSTITUTE OF CHEMICAL ENGINEERING SCIENCES   (Greece)

^b UNIVERSITY OF PATRAS   (Greece)

Author keywords

DFT TD DFT; Dye Sensitized Solar Cells; Indoline; Organic dye; Phenothiazine

Indexed keywords

INSECTICIDES; ISOMERS; SOLAR CELLS; TITANIUM DIOXIDE;

CHENODEOXYCHOLIC ACID; DFT/TD-DFT; INDOLINE; NANO PARTICULATES; ORGANIC DYE; PHENOTHIAZINE; SPECTROMETRIC MEASUREMENTS; THEORETICAL CALCULATIONS;

DYE-SENSITIZED SOLAR CELLS;

EID: 84931268259     PISSN: 15661199     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.orgel.2015.06.009     Document Type: Article

References (28)

1. M.K. Nazeeruddin, S.M. Zakeeruddin, R. Humphry-Baker, M. Jirousek, P. Liska, N. Vlachopoulos, V. Shklover, C.-H. Fischer, and M. Grätzel Acid-base equilibria of (2,2′-bipyridyl-4,4′-dicarboxylic acid)ruthenium(II) complexes and the effect of protonation on charge-transfer sensitization of nanocrystalline titania Inorg. Chem. 38 1999 6298 6305
2. 2-based solar cells J. Am. Chem. Soc. 123 2001 1613 1624
3. C.-Y. Chen, M. Wang, J.-Y. Li, N. Pootrakulchote, L. Alibabaei, C.-H. Ngocle, J.-D. Decoppet, J.-H. Tsai, C. Grtzel, C.-G. Wu, S.M. Zakeeruddin, and M. Grätzel Highly efficient light-harvesting ruthenium sensitizer for thin-film dye-sensitized solar cells ACS Nano 3 2009 3103 3109
4. S. Mathew, A. Yella, P. Gao, R. Humphry-Baker, B.F.E. Curchod, N. Ashari-Astani, I. Tavernelli, U. Rothlisberger, M.K. Nazeeruddin, and M. Grätzel Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers Nat. Chem. 6 2014 242 247
5. H. Tian, and F. Meng Solar cells based on nanoporous titania films filled with conjugated polymers S.S. Sun, N.S. Sariciftci, Organic Photovoltaics: Mechanisms, Materials and Devices vol. 313 2005 CRC London, UK
6. A. Mishra, M.K.R. Fischer, and P. Beauerle Metal-free organic dyes for dye-sensitized solar cells: from structure: property relationships to design rules Angew. Chem. Int. Ed. 48 2009 2474 2499
7. L. Cabau, L. Pelleja, J.N. Clifford, C.V. Kumar, and E. Palomares J. Mater. Chem. A 1 2013 8994 9000
8. S. Zhang, X. Yang, Y. Numata, and L. Han Highly efficient dye-sensitized solar cells: progress and future challenges Energy Environ. Sci. 6 2013 1443 1464
9. D. Joly, L. Pelleja, S. Narbey, F. Oswald, J. Chiron, J.N. Clifford, E. Palomares, and R. Demadrille A robust organic dye for dye sensitized solar cells based on iodine/iodide electrolytes combining high efficiency and outstanding stability Sci. Rep. 2014 4
10. J.-H. Yum, T.W. Holcombe, Y. Kim, K. Rakstys, T. Moehl, J. Teuscher, J.H. Delcamp, M.K. Nazeeruddin, and M. Grätzel Blue-coloured highly efficient dye-sensitized solar cells by implementing the diketopyrrolopyrrole chromophore Sci. Rep. 3 2013 2446 2453
11. M. Zhang, Y. Wang, M. Xu, W. Ma, R. Li, and P. Wang Design of high-efficiency organic dyes for titania solar cells based on the chromophoric core of cyclopentadithiophene-benzothiadiazole Energy Environ. Sci. 6 10 2013 2944 2949
12. Y. Wu, and W. Zhu Organic sensitizers from D-π-A to D-A-π-A: effect of the internal electron-withdrawing units on molecular absorption, energy levels and photovoltaic performances Chem. Soc. Rev. 42 2013 2039 2058
13. S. Qu, C. Qin, A. Islam, Y. Wu, W. Zhu, J. Hua, H. Tian, and L. Han A novel D-A-π-A organic sensitizer containing a diketopyrrolopyrrole unit with a branched alkyl chain for highly efficient and stable dye-sensitized solar cells Chem. Commun. 48 2012 6972 6974
14. Y. Wu, M. Marszalek, S.M. Zakeeruddin, Q. Zhang, H. Tian, M. Gratzel, and W. Zhu High-conversion-efficiency organic dye-sensitized solar cells: molecular engineering on D-A-π-A featured organic indoline dyes Energy Environ. Sci. 5 2012 8261 8272
15. S. Namuangruk, R. Fukuda, M. Ehara, J. Meeprasert, T. Khanasa, S. Morada, T. Kaewin, S. Jungsuttiwong, T. Sudyoadsuk, and V. Promarak D-D-π-A-type organic dyes for dye-sensitized solar cells with a potential for direct electron injection and a high extinction coefficient: synthesis, characterization, and theoretical investigation J. Phys. Chem. C 116 2012 25653 25663
16. O. Miyata, N. Takeda, Y. Kimura, Y. Takemoto, N. Tohnai, M. Miyata, and T. Naito Efficient synthesis of indoles using [3,3]-sigmatropic rearrangement of N-trifluoroacetyl enehydrazines Tetrahedron 62 2006 3629 3647
17. J.P. Perdew, K. Burke, and M. Ernzerhof Generalized gradient approximation made simple Phys. Rev. Lett. 77 1996 3865 3868
18. A. Schäfer, C. Huber, and R. Ahlrichs Fully optimized contracted gaussian basis sets of triple zeta valence quality for atoms Li to Kr J. Chem. Phys. 100 1994 5829 5835
19. K. Eichkorn, O. Treutler, H. Öhm, M. Häser, and R. Ahlrichs Auxiliary basis sets to approximate coulomb potentials Chem. Phys. Lett. 240 1995 283 290
20. A.D. Becke Density-functional thermochemistry. III. The role of exact exchange J. Chem. Phys. 98 1993 5648 5652
21. C. Lee, W. Yang, and R.G. Parr Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density Phys. Rev. B 37 1988 785 789
22. Y. Zhao, and D. Truhlar The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals Theor. Chem. Acc. 120 2008 215 241
23. M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery Jr., J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, O. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, D.J. Fox, Gaussian 09, C.01, Gaussian Inc., Wallingford, CT, USA, 2009.
24. Turbomole, 5.6, Universitat Karlsruhe, 2000.
25. D. Jacquemin, E.A. Perpète, I. Ciofini, C. Adamo, R. Valero, Y. Zhao, and D.G. Truhlar On the performances of the M06 family of density functionals for electronic excitation energies J. Chem. Theory Comput. 6 2010 2071 2085
26. S. Sfaelou, L. Sygellou, V. Dracopoulos, A. Travlos, and P. Lianos Effect of the nature of cadmium salts on the effectiveness of CdS SILAR deposition and its consequences on the performance of sensitized solar cells V J. Phys. Chem. C 118 2014 22873 22880
27. J.H. Yum, S.J. Moon, R. Humphry-Baker, P. Walter, T. Geiger, F. Nüesch, M. Grätzel, and M.K. Nazeeruddin Effect of coadsorbent on the photovoltaic performance of squaraine sensitized nanocrystalline solar cells Nanotechnology 19 2008 424005
28. W. Li, Y. Wu, X. Li, Y. Xie, and W. Zhu Absorption and photovoltaic properties of organic solar cell sensitizers containing fluorene unit as conjunction bridge Energy Environ. Sci. 4 2011 1830 1837