Rapid dye regeneration mechanism of dye-sensitized solar cells

Journal of Physical Chemistry Letters

Volumn 5, Issue 24, 2014, Pages 4285-4290

  Jeon, Jiwon ^a   Park, Young Choon ^a   Han, Sang Soo ^b   Goddard, William A ^c   Lee, Yoon Sup ^a   Kim, Hyungjun ^a  

^a Korea Advanced Institute of Science and Technology (KAIST)   (South Korea)

^b Korea Institute of Science and Technology   (South Korea)

^c CALIFORNIA INSTITUTE OF TECHNOLOGY   (United States)

Author keywords

dye regeneration; dye sensitized solar cells; electron transfer; multiscale simulation

Indexed keywords

ELECTROLYTES; ELECTRON TRANSITIONS; MOLECULAR DYNAMICS; OXIDE MINERALS; TITANIUM DIOXIDE;

CHARGE SEPARATIONS; DYE REGENERATION; ELECTRON TRANSFER; INNER-SPHERE ELECTRON TRANSFERS; INTERFACIAL SYSTEMS; LIGHT-HARVESTING; MOLECULAR DYNAMICS SIMULATIONS; MULTI-SCALE SIMULATION;

DYE-SENSITIZED SOLAR CELLS;

EID: 84918772966     PISSN: None     EISSN: 19487185     Source Type: Journal    
DOI: 10.1021/jz502197b     Document Type: Article

References (27)

1. Lewis, N. S. A Perspective on Forward Research and Development Paths for Cost-Effective Solar Energy Utilization ChemSusChem 2009, 2, 383-386
2. 2 Films Nature 1991, 353, 737-740
3. Hagfeldt, A.; Gratzel, M. Molecular Photovoltaics Acc. Chem. Res. 2000, 33, 269-277
4. Hagfeldt, A.; Boschloo, G.; Sun, L. C.; Kloo, L.; Pettersson, H. Dye-Sensitized Solar Cells Chem. Rev. 2010, 110, 6595-6663
5. Boschloo, G.; Hagfeldt, A. Characteristics of the Iodide/Triiodide Redox Mediator in Dye-Sensitized Solar Cells Acc. Chem. Res. 2009, 42, 1819-1826
6. 2 Films J. Phys. Chem. B 2002, 106, 12203-12210
7. Clifford, J. N.; Palomares, E.; Nazeeruddin, M. K.; Gratzel, M.; Durrant, J. R. Dye Dependent Regeneration Dynamics in Dye Sensitized Nanocrystalline Solar Cells: Evidence for the Formation of a Ruthenium Bipyridyl Cation/Iodide Intermediate J. Phys. Chem. C 2007, 111, 6561-6567
8. - Photodissociation J. Am. Chem. Soc. 2009, 131, 16206-16214
9. Anderson, A. Y.; Barnes, P. R. F.; Durrant, J. R.; ORegan, B. C. Simultaneous Transient Absorption and Transient Electrical Measurements on Operating Dye-Sensitized Solar Cells: Elucidating the Intermediates in Iodide Oxidation J. Phys. Chem. C 2010, 114, 1953-1958
10. Anderson, A. Y.; Barnes, P. R. F.; Durrant, J. R.; ORegan, B. C. Quantifying Regeneration in Dye-Sensitized Solar Cells J. Phys. Chem. C 2011, 115, 2439-2447
11. Li, F.; Jennings, J. R.; Wang, Q. Determination of Sensitizer Regeneration Efficiency in Dye-Sensitized Solar Cells ACS Nano 2013, 7, 8233-8242
12. Antila, L. J. M.; Mustalaht, P.; Lehtivuori, S.; Korppi-Tommola, H. J. Injection and Ultrafast Regeneration in Dye-Sensitized Solar Cells J. Phys. Chem. C 2014, 118, 7772-7780
13. Gardner, J. M.; Giaimuccio, J. M.; Meyer, G. J. Evidence for Iodine Atoms as Intermediates in the Dye Sensitized Formation of I-I Bonds J. Am. Chem. Soc. 2008, 130, 17252-17253
14. Kusama, H.; Sugihara, H.; Sayama, K. Theoretical Study on the Interactions between Black Dye and Iodide in Dye-Sensitized Solar Cells J. Phys. Chem. C 2011, 115, 9267-9275
15. Privalov, T.; Boschloo, G.; Hagfeldt, A.; Svensson, P. H.; Kloo, L. A Study of the Interactions between I-/I-3(-) Redox Mediators and Organometallic Sensitizing Dyes in Solar Cells J. Phys. Chem. C 2009, 113, 783-790
16. -, X = Br, I, At. Implications for Dye-Sensitized Solar Cells J. Phys. Chem. C 2010, 114, 15165-15173
17. Asaduzzaman, A. M.; Schreckenbach, G. Interactions of the N3 Dye with the Iodide Redox Shuttle: Quantum Chemical Mechanistic Studies of the Dye Regeneration in the Dye-Sensitized Solar Cell Phys. Chem. Chem. Phys. 2011, 13, 15148-15157
18. Liu, T.; Troisi, A. Theoretical Evidence of Multiple Dye Regeneration Mechanisms in Dye-Sensitized Solar Cells Chem. Phys. Lett. 2013, 570, 159-162
19. Rips, I.; Jortner, J. Dynamic Solvent Effects on Outer-Sphere Electron-Transfer J. Chem. Phys. 1987, 87, 2090-2104
20. 2 Electrodes J. Am. Chem. Soc. 1993, 115, 6382-6390
21. Jeon, J.; Goddard, W. A.; Kim, H. Inner-Sphere Electron-Transfer Single Iodide Mechanism for Dye Regeneration in Dye-Sensitized Solar Cells J. Am. Chem. Soc. 2013, 135, 2431-2434
22. Wang, X. G.; Stanbury, D. M. Oxidation of Iodide by a Series of Fe(III) Complexes in Acetonitrile Inorg. Chem. 2006, 45, 3415-3423
23. Carter, E. A.; Ciccotti, G.; Hynes, J. T.; Kapral, R. Constrained Reaction Coordinate Dynamics for the Simulation of Rare Events Chem. Phys. Lett. 1989, 156, 472-477
24. 2 Photoelectrochemical Cells J. Phys. Chem. B 2001, 105, 6867-6873
25. 2 Interface J. Am. Chem. Soc. 2005, 127, 7941-7951
26. 2 J. Am. Chem. Soc. 2007, 129, 8528-8543
27. 2 Annu. Rev. Phys. Chem. 2007, 58, 143-184