Covalent O-H bonds as electron traps in proton-rich rutile TiO2 nanoparticles

Nano Letters

Volumn 14, Issue 4, 2014, Pages 1785-1789

  Zhang, Jing ^a   Steigerwald, Michael ^a   Brus, Louis ^a   Friesner, Richard A ^a  

^a Department of Chemistry Columbia University ^*  (United States)

Author keywords

ambipolar diffusion; density functional theory; Dye sensitized solar cell; electron transport; electron traps

Indexed keywords

DIFFUSION BARRIERS; OXIDE MINERALS; PHOTOELECTROCHEMICAL CELLS; POSITIVE IONS; PROTONS; QUANTUM THEORY; SOLAR CELLS; TITANIUM DIOXIDE;

AMBIPOLAR DIFFUSION; DYE-SENSITIZED SOLAR CELL; DYE-SENSITIZED SOLAR CELLS; ELECTRON TRANSPORT; NANO-CRYSTALLINE FILMS; QUANTUM MECHANICAL; RUTILE TIO; TRANSPORT BEHAVIOR;

ELECTRON TRAPS;

EID: 84898012648     PISSN: 15306984     EISSN: 15306992     Source Type: Journal    
DOI: 10.1021/nl404307n     Document Type: Article

References (41)

1. O'Regan, B.; Grätzel, M. Nature 1991, 353, 737-740
2. Grätzel, M. Nature 2001, 414, 338-344
3. Ardo, S.; Meyer, G. J. Chem. Soc. Rev. 2009, 38, 115-164
4. Hagfeldt, A.; Boschloo, G.; Sun, L.; Kloo, L.; Pettersson, H. Chem. Rev. 2010, 110, 6595-6663
5. Henderson, M. A. Surf. Sci. Rep. 2011, 66, 185-297
6. Frank, A. J.; Kopidakis, N.; van de Lagemaat, J. Coord. Chem. Rev. 2004, 248, 1165-1179
7. van de Lagemaat, J.; Frank, A. J. J. Phys. Chem. B 2001, 105, 11194-11205
8. Dloczik, L.; Ileperuma, O.; Lauermann, I.; Peter, L. M.; Ponomarev, E. A.; Redmond, G.; Shaw, N. J.; Uhlendorf, I. J. Phys. Chem. B 1997, 101, 10281-10289
9. Solbrand, A.; Lindström, H.; Rensmo, H.; Hagfeldt, A.; Lindquist, S.-E.; Södergren, S. J. Phys. Chem. B 1997, 101, 2514-2518
10. Kopidakis, N.; Schiff, E. A.; Park, N.-G.; van de Lagemaat, J.; Frank, A. J. J. Phys. Chem. B 2000, 107, 11307-11315
11. Park, N.-G.; van de Lagemaat, J.; Frank, A. J. J. Phys. Chem. B 2000, 104, 8989-8994
12. Kopidakis, N.; Benkstein, K. D.; van de Lagemaat, J.; Frank, A. J. J. Phys. Chem. B 2003, 107, 11307-11315
13. Di Valentin, C.; Pacchioni, G.; Selloni, A. Phys. Rev. Lett. 2006, 97, 166803
14. Finazzi, E.; Di Valentin, C.; Pacchioni, G.; Selloni, A. J. Chem. Phys. 2008, 129, 154113
15. Morgan, B. J.; Watson, G. W. Phys. Rev. B 2009, 80, 233102
16. Aaron Deskins, N.; Rousseau, R.; Dupuis, M. J. Phys. Chem. C 2011, 115, 7562-7572
17. Di Valentin, C.; Pacchioni, G.; Selloni, A. J. Phys. Chem. C 2009, 113, 20543-20552
18. Koudriachova, M. V.; Harrison, N. M.; de Leeuw, S. W. Phys. Rev. B 2002, 65, 235423
19. Koudriachova, M. V.; de Leeuw, S. W.; Harrison, N. M. Phys. Rev. B 2004, 70, 165421
20. Aschauer, U.; Selloni, A. Phys. Chem. Chem. Phys. 2012, 14, 16595-16602
21. Di Valentin, C.; Selloni, A. J. Phys. Chem. Lett. 2011, 2, 2223-2228
22. Nunzi, F.; Mosconi, E.; Storchi, L.; Ronca, E.; Selloni, A.; Grätzel, M.; De Angelis, F. Energy Environ. Sci. 2013, 6, 1221-1229
23. Blagojevic, V.; Chen, Y.-R.; Steigerwald, M.; Brus, L.; Friesner, R. A. J. Phys. Chem. C 2009, 113, 19806-19811
24. Mosconi, E.; Selloni, A.; De Angelis, F. J. Phys. Chem. C 2012, 116, 5932-5940
25. Nakade, S.; Kambe, S.; Kitamura, T.; Wada, Y.; Yanagida, S. J. Phys. Chem. B 2001, 105, 9150-9152
26. Kambe, S.; Nakade, S.; Kitamura, T.; Wada, Y.; Yanagida, S. J. Phys. Chem. B 2002, 106, 2967-2972
27. Zhang, J.; Hughes, T. F.; Steigerwald, M.; Brus, L.; Friesner, R. A. J. Am. Chem. Soc. 2012, 134, 12028-12042
28. Wang, Z.-S.; Yamaguchi, T.; Sugihara, H.; Arakawa, H. Langmuir 2005, 21, 4272-4276
29. Wang, Z.-S.; Zhou, G. J. Phys. Chem. C 2009, 113, 15417-15421
30. Schlichthörl, G.; Huang, S. Y.; Sprague, J.; Frank, A. J. J. Phys. Chem. B 1997, 101, 8141-8155
31. Jung, H. S.; Lee, J.-K.; Lee, S.; Hong, K. S.; Shin, H. J. Phys. Chem. C 2008, 112, 8476-8480
32. Bates, J. B.; Wang, J. C.; Perkins, R. A. Phys. Rev. B 1979, 19, 4130-4139
33. Szczepankiewicz, S. H.; Colussi, A. J.; Hoffmann, M. R. J. Phys. Chem. B 2000, 104, 9842-9850
34. Leytner, S.; Hupp, J. T. Chem. Phys. Lett. 2000, 330, 231-236
35. Johnson, O. W.; Paek, S.-H.; DeFord, J. W. J. Appl. Phys. 1975, 46, 1026
36. Bisquert, J. Phys. Chem. Chem. Phys. 2008, 10, 3175-3194
37. Jaguar, version 8.0; Schrödinger, LLC: New York, NY, 2013.
38. Bochevarov, A. D.; Harder, E.; Hughes, T. F.; Greenwood, J.; Braden, D. A.; Philipp, D. M.; Rinaldo, D.; Halls, M. D.; Zhang, J.; Friesner, R. A. Int. J. Quantum Chem. 2013, 113, 2110-2142 10.1002/qua.24481
39. Hughes, T. F.; Friesner, R. A. J. Chem. Theory Comput. 2012, 8, 442-459
40. Lin, M.-S.; Hung, N.; Wrighton, M. S. J. Electroanal. Chem. Interfacial Electrochem. 1982, 135, 121-143
41. Boschloo, G.; Fitzmaurice, D. J. Phys. Chem. B 1999, 103, 2228-2231