Suitability of amorphous TiO2 nanoparticles as a photoelectrode in dye sensitized solar cells: A DFT-TDDFT study

Chemical Physics Letters

Volumn 585, Issue , 2013, Pages 138-142

  Eithiraj, R D ^a   Geethalakshmi, K R ^b  

^a DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC   (Spain)

^b CENTRO MIXTO CSIC UPV EHU   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DENSITY FUNCTIONAL THEORY; DYE-SENSITIZED SOLAR CELLS; MOLECULAR DYNAMICS; MOLECULES; SOLAR CELLS; TITANIUM DIOXIDE;

AB INITIO CALCULATIONS; AMORPHOUS CLUSTERS; CRYSTALLINE-TIO; EXCITED-STATE ENERGY; OPTIMIZED STRUCTURES; PHOTOELECTRODE; SINGLET EXCITED STATE; TIME-DEPENDENT DFT;

EXCITED STATES;

EID: 84885677492     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.08.103     Document Type: Article

References (33)

1. B.O. Regan, M. Grätzel, Nature (London) 353 (1991) 737.
2. M. Gratzel, Nature (London) 421 (2003) 586.
3. M.K. Nazeeruddin, P. Pechy, T. Renouard, S.M. Zakeeruddin, R. Humphry-Baker, P. Comte, P. Liska, L. Cevey, E. Costa, V. Shklover, L. Spiccia, G.B. Deacon, C.A. Bignozzi, M. Gratzel, J. Am. Chem. Soc. 123 (2001) 1613.
4. Y. Chiba, A. Islam, Y. Watanabe, R. Komiya, N. Koide, L.Y. Han, J. Appl. Phys. 45 (2006) L638.
5. M. Gratzel, J. Photochem. Photobiol. C: Photochem. Rev. 4 (2003) 145.
6. A.B.F. Martinson, J.W. Elam, J. Liu, M.J. Pellin, T.J. Marks, J.T. Hupp, Nano Lett. 8 (2008) 2862.
7. N. Kakuta, T. Oku, A. Suzuki, K. Kikuchi, S. Kikuchi, J. Cera. Pro. Rese. 13 (2012) 28.
8. D. Zhang, H. Hu, L. Li, D. Shi, J. Nanotechnology (2008), Article ID 271631.
9. F. De Angelis, S. Fantacci, A. Selloni, M.K. Nazeeruddin, M. Gratzel, J. Am. Chem. Soc. 129 (2007) 14156.
10. H.G. Yang, C.H. Sun, S.Z. Qiao, J. Zou, G. Liu, S.C. Smith, H.M. Cheng, G.Q. Lu, Nature 453 (2008) 638.
11. F. De Angelis, S. Fantacci, A. Selloni, Nanotechnology 19 (2008) 424002.
12. R. Jose, A. Kumar, V. Thavasi, K. Fujihara, S. Uchida, S. Ramakrishna, App. Phys. Lett. 93 (2008) 023125.
13. S.H. Liu, H. Fu, Y.M. Cheng, K.L. Wu, S.T. Ho, Y. Chi, P.T. Chou, J. Phys. Chem. C 116 (2012) 16338.
14. M.J. Lundqvist, M. Nilsing, P. Persson, S. Lunell, Int. J. Quantum Chem. 106 (2006) 3214.
15. H. Peng, J. Li, S.S. Li, J.B. Xia, J. Phys. Chem. C 112 (2008) 13964.
16. Z.W. Qu, G.J. Kores, J. Phys. Chem. B 110 (2006) 8998.
17. Z.W. Qu, G.J. Kroes, J. Phys. Chem. C 111 (2007) 16808.
18. H. Zhang, B. Chen, J.F. Banfield, Phys. Rev. B 78 (2008) 214106.
19. S. Hamad, C.R.A. Catlow, S.M. Woodley, S. Lago, J.A. Mejas, J. Phys. Chem. B 109 (2005) 15741.
20. V.V. Hoang, Nanotechnology 19 (2008) 105706.
21. D. Mergel, D. Buschendorf, S. Eggert, R. Grammes, B. Samset, Thin Solid Films 371 (2000) 218.
22. M.P. Allen, D.J. Tildesley, Computer Simulation of Liquids, Clarendon Press, Oxford, 1987.
23. M. Matsui, M. Akaogi, Mol. Simul. 6 (1991) 239.
24. V. Petkov, G. Holzhunter, U. Troge, Th. Gerber, B. Himmel, J. Non-Cryst. Solids 231 (1998) 17.
25. M.J. Frisch et al., GAUSSIAN 09, Revision A.1, Gaussian, Inc., Wallingford CT, 2009.
26. A.D. Becke, J. Chem. Phys. 98 (1993) 5648.
27. M.K. Nazeeruddin, F. De Angelis, S. Fantacci, A. Selloni, G. Viscardi, P. Liska, S. Ito, B. Takeru, M. Gratzel, J. Am. Chem. Soc. 127 (2005) 16835.
28. N. Godbout, D.R. Salahub, J. Andezelm, E. Can Wimmer, Can. J. Chem. 70 (1992) 560.
29. M. Cossi, V. Barone, J. Chem. Phys. 115 (2001) 4708.
30. S. Valencis, J.M. Marin, G. Restrepo, Open Mater Sci. J. 4 (2010) 9.
31. B. Poumellect, P.J. Durham, G.Y. Guot, J. Phys.: Condens. Matter 3 (1991) 8195.
32. R. Jose, A. Kumar, V. Thavasi, S. Ramakrishna, Nanotechnology 19 (2008) 424004.
33. L.L. Walkup, K.C. Weerasinghe, M. Tao, X. Zhou, M. Zhang, D. Liu, L. Wang, J. Phys. Chem. C 114 (2010) 19521.