Can polypyridyl Cu(I)-based complexes provide promising sensitizers for dye-sensitized solar cells? A theoretical insight into Cu(I) versus Ru(II) sensitizers

Journal of Physical Chemistry C

Volumn 115, Issue 9, 2011, Pages 3753-3761

  Lu, Xiaoqing ^a   Wei, Shuxian ^b   Wu, Chi Man Lawrence ^a   Li, Shaoren ^b   Guo, Wenyue ^b  

^a CITY UNIVERSITY OF HONG KONG   (Hong Kong)

^b CHINA UNIVERSITY OF PETROLEUM   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; ABSORPTION SPECTRA; CHARGE TRANSFER; CYANIDES; DENSITY FUNCTIONAL THEORY; DYES; ELECTRONIC STRUCTURE; ION EXCHANGE; LIGANDS; LIGHT ABSORPTION; MOLECULAR ORBITALS; OPTICAL PROPERTIES; PHOTOELECTROCHEMICAL CELLS; RUTHENIUM ALLOYS; STRUCTURAL DESIGN; STRUCTURAL OPTIMIZATION;

ANCILLARY LIGANDS; BIPYRIDINES; BIPYRIDYL LIGANDS; CYANIDE SOLUTION; DYE-SENSITIZED SOLAR CELL; DYE-SENSITIZED SOLAR CELLS; GASPHASE; HETEROAROMATIC GROUPS; KEY ISSUES; METAL-TO-LIGAND CHARGE TRANSFER; MOLECULAR GEOMETRIES; MOLECULAR ORBITAL ENERGY; OPTICAL ABSORPTION SPECTRUM; OSCILLATOR STRENGTHS; RED SHIFT; SUSTAINABLE MATERIALS; THEORETICAL INVESTIGATIONS; TIME-DEPENDENT DFT;

SOLAR CELLS;

EID: 79952286882     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp111325y     Document Type: Article

References (54)

1. ORegan, B.; Grätzel, M. Nature 1991, 353, 737
2. Hagfeldt, A.; Grätzel, M. Acc. Chem. Res. 2000, 33, 269
3. Grätzel, M. Nature 2001, 414, 338
4. Grätzel, M. Nature 2003, 421, 586
5. Moreira Goncalves, L.; de Zea Bermudez, V.; Aguilar Ribeiro, H.; Magalhães Mendes, A. Energy Environ. Sci. 2008, 1, 655
6. Boschloo, G.; Hagfeldt, A. Acc. Chem. Res. 2009, 42, 1819
7. Grätzel, M. Acc. Chem. Res. 2009, 42, 1788
8. Nazeeruddin, M. K.; Kay, A.; Rodicio, I.; Humphrybaker, R.; Muller, E.; Liska, P. J. Am. Chem. Soc. 1993, 115, 6382
9. Nazeeruddin, M. K.; De Angelis, F.; Fantacci, S.; Selloni, A.; Viscardi, G.; Liska, P.; Ito, S.; Takeru, B.; Grätzel, M. J. Am. Chem. Soc. 2005, 127, 16835
10. Chiba, Y.; Islam, A.; Watanabe, Y.; Komiya, R.; Koide, N.; Han, L. Y. Jpn. J. Appl. Phys., Part 2 2006, 45, 638
11. Chen, C. Y.; Wu, S. J.; Wu, C. G.; Chen, J. G.; Ho, K. C. Angew. Chem. 2006, 118, 5954
12. Angew. Chem., Int. Ed. 2006, 45, 5822.
13. Chen, C. Y.; Wu, S. J.; Li, J. Y.; Wu, C. G.; Chen, J. G.; Ho, K. C. Adv. Mater. 2007, 19, 3888
14. Gao, F.; Wang, Y.; Zhang, J.; Shi, D.; Wang, M.; Humphry-Baker, R.; Wang, P.; Zakeeruddin, S. M.; Grätzel, M. Chem. Commun. 2008, 2635
15. Gao, F.; Wang, Y.; Shi, D.; Zhang, J.; Wang, M.; Jing, X.; Humphry-Baker, R.; Wang, P.; Zakeeruddin, S. M.; Grätzel, M. J. Am. Chem. Soc. 2008, 130, 10720
16. Shi, D.; Pootrakulchote, N.; Li, R.; Guo, J.; Wang, Y.; Zakeeruddin, S. M.; Grätzel, M.; Wang, P. J. Phys. Chem. C 2008, 112, 17046
17. Chen, C. Y.; Chen, J. G.; Wu, S. J.; Li, J. Y.; Wu, C. G.; Ho, K. C. Angew. Chem. 2008, 120, 7452
18. Angew. Chem., Int. Ed. 2008, 47, 7342.
19. Abbotto, A.; Barolo, C.; Bellotto, L.; De Angelis, F.; Grätzel, M.; Manfredi, N.; Marinzi, C.; Fantacci, S.; Yum, J. H.; Nazeeruddin, M. K. Chem. Commun. 2008, 5318
20. Cao, Y.; Bai, Y.; Yu, Q.; Cheng, Y.; Liu, S.; Shi, D.; Gao, F.; Wang, P. J. Phys. Chem. C 2009, 113, 6290
21. Chen, C.-Y.; Wang, M.; Li, J.-Y.; Pootrakulchote, N.; Alibabaei, L.; Ngoc-le, C.-h.; Decoppet, J.-D.; Tsai, J.-H.; Grätzel, C.; Wu, C.-G.; Zakeeruddin, S. M.; Grätzel, M. ACS Nano 2009, 3, 3103
22. Yu, Q. J.; Wang, Y. H.; Yi, Z. H.; Zu, N. N.; Zhang, J.; Zhang, M.; Wang, P. ACS Nano 2010, 4, 6032
23. McMillin, D. R.; McNett, K. M. Chem. Rev. 1998, 98, 1201
24. Armaroli, N. Chem. Soc. Rev. 2001, 30, 113
25. Robertson, N. ChemSusChem 2008, 1, 977
26. Bessho, T.; Constable, E. C.; Grätzel, M.; Redondo, A. H.; Housecroft, C. E.; Kylberg, W.; Nazeeruddin, M. K.; Neuburger, M.; Schaffner, S. Chem. Commun. 2008, 3717
27. Sakaki, S.; Kuroki, T.; Hamada, T. J. Chem. Soc., Dalton. Trans. 2002, 840
28. Hattori, S.; Wada, Y.; Yanagida, S.; Fukuzumi, S. J. Am. Chem. Soc. 2005, 127, 9648
29. Lin, Y.-Y.; Chu, T.-H.; Li, S.-S.; Chuang, C.-H.; Chang, C.-H.; Su, W.-F.; Chang, C.-P.; Chu, M.-W.; Chen, C.-W. J. Am. Chem. Soc. 2009, 131, 3644
30. Constable, E. C.; Redondo, A. H.; Housecroft, C. E.; Neuburger, M.; Schaffner, S. Dalton Trans. 2009, 6634
31. Bozic-Weber, B.; Constable, E. C.; Housecroft, C. E.; Neuburger, M.; Price, J. R. Dalton Trans. 2010, 39, 3585
32. Chiodo, S.; Russo, N.; Sicilia, E. J. Comput. Chem. 2005, 26, 175
33. Fuentealba, P.; Preuss, H.; Stoll, H.; Szentpaly, v. L. Chem. Phys. Lett. 1989, 89, 418
34. Andrae, D.; Haeussermann, U.; Dolg, M.; Stoll, H.; Preuss, H. Theor. Chim. Acta 1990, 77, 123
35. De Angelis, F.; Fantacci, S.; Selloni, A. Nanotechnology 2008, 19, 424002
36. Stratmann, R. E.; Scuseria, G. E.; Frisch, M. J. J. Chem. Phys. 1998, 109, 8218
37. Scalmani, G.; Frisch, M. J.; Mennucci, B.; Tomasi, J.; Cammi, R.; Barone, V. J. Chem. Phys. 2006, 124, 094107
38. Cossi, M.; Barone, V. J. Chem. Phys. 2001, 115, 4708
39. Miertus, S.; Scrocco, E.; Tomasi, J. Chem. Phys. 1981, 55, 117
40. Cossi, M.; Barone, V.; Cammi, R.; Tomasi, J. Chem. Phys. Lett. 1996, 255, 327
41. Barone, V.; Cossi, M. J. Phys. Chem. A 1998, 102, 1995
42. Barone, V.; Cossi, M. J. Chem. Phys. 1997, 107, 3210
43. Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Scalmani, G.; Barone, V.; Mennucci, B.; Petersson, G. A.; Nakatsuji, H.; Caricato, M.; Li, X.; Hratchian, H. P.; Izmaylov, A. F.; Bloino, J.; Zheng, G.; Sonnenberg, J. L.; Hada, M.; Ehara, M.; Toyota, K.; Fukuda, R.; Hasegawa, J.; Ishida, M.; Nakajima, T.; Honda, Y.; Kitao, O.; Nakai, H.; Vreven, T.; Montgomery, Jr., J. A.; Peralta, J. E.; Ogliaro, F.; Bearpark, M.; Heyd, J. J.; Brothers, E.; Kudin, K. N.; Staroverov, V. N.; Kobayashi, R.; Normand, J.; Raghavachari, K.; Rendell, A.; Burant, J. C.; Iyengar, S. S.; Tomasi, J.; Cossi, M.; Rega, N.; Millam, N. J.; Klene, M.; Knox, J. E.; Cross, J. B.; Bakken, V.; Adamo, C.; Jaramillo, J.; Gomperts, R.; Stratmann, R. E.; Yazyev, O.; Austin, A. J.; Cammi, R.; Pomelli, C.; Ochterski, J. W.; Martin, R. L.; Morokuma, K.; Zakrzewski, V. G.; Voth, G. A.; Salvador, P.; Dannenberg, J. J.; Dapprich, S.; Daniels, A. D.; Farkas, Ö.; Foresman, J. B.; Ortiz, J. V.; Cioslowski, J.; Fox, D. J. Gaussian 09, Revision A.1; Gaussian, Inc.: Wallingford, CT, 2009.
44. Lu, X. Q.; Wu, C.-M. L.; Wei, S. X.; Guo, W. Y. J. Phys. Chem. A 2010, 114, 1178
45. Shklover, V.; Ovchinnikov, Yu. E.; Graginsky, L. S.; Zakeeruddin, S. M.; Grätzel, M. Chem. Mater. 1998, 10, 2533
46. Fantacci, S.; De Angelis, F.; Sgamellotti, A. J. Am. Chem. Soc. 2003, 125, 4381
47. Abrahamsson, M.; Becker, H. C.; Hammarstrom, L.; Bonnefous, C.; Chamchoumis, C.; Thummel, R. P. Inorg. Chem. 2007, 46, 10354
48. Farrell, I. R.; Matousek, P.; Towrie, M.; Parker, A. W.; Grills, D. C.; George, M. W.; Vl?ek, A. Inorg. Chem. 2002, 41, 4318
49. Preat, J.; Michaux, C.; Jacquemin, D.; Perpète, E. A. J. Phys. Chem. C 2009, 113, 16821
50. Grätzel, M. J. Photochem. Photobiol. A 2004, 164, 3
51. Asbury, J. B.; Wang, Y. Q.; Hao, E.; Ghosh, H.; Lian, T. Res. Chem. Intermed. 2001, 27, 393
52. Cahen, D.; Hodes, G.; Grätzel, M.; Guillermoles, J. F.; Riess, I. J. Phys. Chem. B 2000, 104, 2053
53. Argazzi, R.; Murakami Iha, N. Y.; Zabri, H.; Odobel, F.; Bignozzi, C. A. Coord. Chem. Rev. 2004, 248, 1299
54. Nalwa, H. S. Handbook of Advanced Electronic and Photonic Materials and Devices; Academic: San Diego, CA, 2001.