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Combined Experimental and DFT-TDDFT Computational Study of Photoelectrochemical Cell Ruthenium Sensitizers
Open accessAbstract
We report a combined experimental and computational study of several ruthenium(II) sensitizers originated from the [Ru(dcbpyH(2))(2)(NCS)(2)], N3, and [Ru(dcbpyH(2))(tdbpy)(NCS)(2)], N621, (dcbpyH(2) = 4,4'-dicarboxy-2,2'-bipyridine, tdbpy = 4,4'-tridecyl-2,2'-bipyridine) complexes. A purification procedure was developed to obtain pure N-bonded isomers of both types of sensitizers. The photovoltaic data of the purified N3 and N621 sensitizers adsorbed on TiO(2) films in their monoprotonated and diprotonated state, exhibited remarkable power conversion efficiency at 1 sun, 11.18 and 9.57%, respectively. An extensive Density Functional Theory (DFT)-Time Dependent DFT study of these sensitizers in solution was performed, investigating the effect of protonation of the terminal carboxylic groups and of the counterions on the electronic structure and optical properties of the dyes. The calculated absorption spectra are in good agreement with the experiment, thus allowing a detailed assignment of the UV-vis spectral features of the two types of dyes. The computed alignments of the molecular orbitals of the different complexes with the band edges of a model TiO(2) nanoparticle provide additional insights into the electronic factors governing the efficiency of dye-sensitized solar cell devices.
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Cites
Grätzel, M. (2001) · Nature · doi:10.1038/35104607 · Cited by 12,687
Self-citationBarone, V., & Cossi, M. (1998) · The Journal of Physical Chemistry A · doi:10.1021/jp9716997 · Cited by 10,121
Cossi, M., Rega, N., Scalmani, G., & Barone, V. (2003) · Journal of Computational Chemistry · doi:10.1002/jcc.10189 · Cited by 8,056
Nazeeruddin, M. K., Kay, A., Rodicio, I., Humphry-Baker, R., Mueller, E., Liska, P., Vlachopoulos, N., & Graetzel, M. (1993) · Journal of the American Chemical Society · doi:10.1021/ja00067a063 · Cited by 6,020
Self-citationSelf-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elements
Binkley, J. S., Pople, J. A., & Hehre, W. J. (1980) · Journal of the American Chemical Society · doi:10.1021/ja00523a008 · Cited by 3,878
Godbout, N., Salahub, D. R., Andzelm, J., & Wimmer, E. (1992) · Canadian Journal of Chemistry · doi:10.1139/v92-079 · Cited by 2,974
Engineering of Efficient Panchromatic Sensitizers for Nanocrystalline TiO2-Based Solar Cells
Nazeeruddin, M. K., Péchy, P., Renouard, T., Zakeeruddin, S. M., Humphry-Baker, R., Comte, P., Liska, P., Cevey, L., Costa, E., Shklover, V., et al. (2001) · Journal of the American Chemical Society · doi:10.1021/ja003299u · Cited by 2,588
Self-citationTime-dependent density functional theory for molecules in liquid solutions
Cossi, M., & Barone, V. (2001) · The Journal of Chemical Physics · doi:10.1063/1.1394921 · Cited by 2,081
Nazeeruddin, M. K., Zakeeruddin, S. M., Humphry‐Baker, R., Jirousek, M., Liska, P., Vlachopoulos, N., Shklover, V., Fischer, C.-H., & Grätzel, M. (1999) · Inorganic Chemistry · doi:10.1021/ic990916a · Cited by 1,066
Self-citationPhotoelectrochemistry: Applications to Solar Energy Conversion
Nozik, A. J. (1978) · Annual Review of Physical Chemistry · doi:10.1146/annurev.pc.29.100178.001201 · Cited by 962
Adachi, M., Murata, Y., Takao, J., Jiu, J., Sakamoto, M., & Wang, F. (2004) · Journal of the American Chemical Society · doi:10.1021/ja048068s · Cited by 866
Formic Acid Adsorption on Dry and Hydrated TiO2 Anatase (101) Surfaces by DFT Calculations
Vittadini, A., Selloni, A., Rotzinger, F. P., & Grätzel, M. (2000) · The Journal of Physical Chemistry B · doi:10.1021/jp993583b · Cited by 435
Self-citationQuantum Chemical Study of Photoinjection Processes in Dye-Sensitized TiO2 Nanoparticles
Persson, P., Bergström, R., & Lunell, S. (2000) · The Journal of Physical Chemistry B · doi:10.1021/jp002550p · Cited by 355
Nazeeruddin, M. K., Humphry-Baker, R., Officer, D. L., Campbell, W. M., Burrell, A. K., & Grätzel, M. (2004) · Langmuir · doi:10.1021/la0496082 · Cited by 286
Self-citationDuncan, W. R., Stier, W. M., & Prezhdo, O. V. (2005) · Journal of the American Chemical Society · doi:10.1021/ja042156v · Cited by 262
Shklover, V., Ovchinnikov, Y. E., Braginsky, L., et al. (1998) · Chemistry of Materials · doi:10.1021/cm980303g · Cited by 248
Rapid Fabrication of Binary Colloidal Crystals by Stepwise Spin‐Coating
Wang, D., & Möhwald, H. (2004) · Advanced Materials · doi:10.1002/adma.200305565 · Cited by 231
Miyasaka, T., & Kijitori, Y. (2004) · Journal of The Electrochemical Society · doi:10.1149/1.1796931 · Cited by 223
Fabregat-Santiago, F., García-Cañadas, J., Palomares, E., Clifford, J. N., Haque, S. A., Durrant, J. R., Garcia-Belmonte, G., & Bisquert, J. (2004) · Journal of Applied Physics · doi:10.1063/1.1812588 · Cited by 193
Stier, W., & Prezhdo, O. V. (2002) · The Journal of Physical Chemistry B · doi:10.1021/jp014267b · Cited by 186
Renouard, T., Fallahpour, R.-A., Nazeeruddin, M. K., et al. (2002) · Inorganic Chemistry · doi:10.1021/ic010512u · Cited by 170
Self-citationZabri, H. C. B. L., Gillaizeau, I., Bignozzi, C. A., Caramori, S., Charlot, M., Cano, J., & Odobel, F. (2003) · Inorganic Chemistry · doi:10.1021/ic034403m · Cited by 116
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Chen, X., Shen, S., Guo, L., & Mao, S. S. (2010) · Chemical Reviews · doi:10.1021/cr1001645 · Cited by 7,876
Density functional theory for transition metals and transition metal chemistry
Cramer, C. J., & Truhlar, D. G. (2009) · Physical Chemistry Chemical Physics · doi:10.1039/b907148b · Cited by 1,648
Highly Efficient Quantum‐Dot‐Sensitized Solar Cell Based on Co‐Sensitization of CdS/CdSe
Lee, Y., & Lo, Y. (2009) · Advanced Functional Materials · doi:10.1002/adfm.200800940 · Cited by 1,084
Dye-Sensitized Solar Cells: Fundamentals and Current Status
Sharma, K., Sharma, V., & Sharma, S. S. (2018) · Nanoscale Research Letters · doi:10.1186/s11671-018-2760-6 · Cited by 1,084
Large π-Aromatic Molecules as Potential Sensitizers for Highly Efficient Dye-Sensitized Solar Cells
Imahori, H., Umeyama, T., & Ito, S. (2009) · Accounts of Chemical Research · doi:10.1021/ar900034t · Cited by 1,012
Self-citation
Metadata
- Authors
- Nazeeruddin, M. K., De Angelis, F., Fantacci, S., Selloni, A., Viscardi, G., Liska, P., Ito, S., Takeru, B., & Grätzel, M.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2005-11-12
- Volume
- 127
- Issue
- 48
- Pages
- 16835-16847
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W1991980035
- Cited by
- 2,749
- References
- 22
- FWCI
- 53.69
- Type
- journal article
- Language
- en
- Open access
- green
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