Dynamics of photoinduced proton-coupled electron transfer at molecule-semiconductor interfaces: A reduced density matrix approach

Journal of Physical Chemistry C

Volumn 114, Issue 1, 2010, Pages 487-496

  Venkataraman, Charulatha ^a   Soudackov, Alexander V ^a   Hammes Schiffer, Sharon ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DEFECT BANDS; DONOR STATE; DYE MOLECULE; ELECTRON TRANSFER; ELECTRONIC COUPLING; EXCITED ELECTRONIC STATE; HYDROGEN ATOMS; INTERFACIAL ELECTRON TRANSFER; ISOTOPE EFFECT; MODEL HAMILTONIANS; MODEL SYSTEM; MOLECULAR ADSORBATE; PHOTO-INDUCED; POPULATION DECAY TIME; PROTON TRANSFER REACTIONS; PROTON-COUPLED ELECTRON TRANSFER; REDUCED-DENSITY MATRIX; RELATIVE TIME; SEMI-CONDUCTOR SURFACES; SEMICONDUCTOR INTERFACES; SYSTEM PROPERTY; THEORETICAL MODELS; THEORETICAL PREDICTION; TIME-DEPENDENT; ULTRA-FAST; VIBRATIONAL RELAXATION; VIBRONIC STATE;

CHARGE TRANSFER; DYNAMICS; ELECTRON MOBILITY; ELECTRON TRANSITIONS; ELECTRONIC STATES; EQUATIONS OF MOTION; HYDROGEN BONDS; ISOTOPES; MOLECULAR ELECTRONICS; MOLECULES; QUANTUM THEORY;

PROTONS;

EID: 75149198366     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp908798n     Document Type: Article

References (77)

1. Hagfeldt, A.; Gratzel, M. Acc. Chem. Res. 2000, 33, 269.
2. Gratzel, M. Nature 2001, 414, 338.
3. Asbury, J. B.; Hao, E.; Wang, Y.; Ghosh, H. N.; Lian, T. J. Phys. Chem. B 2001, 105, 4545.
4. Stier, W.; Prezhdo, O. V. J. Phys. Chem. B 2002, 106, 8047.
5. Rego, L. G. C.; Batista, V. S. J. Am. Chem. Soc. 2003, 125, 7989.
6. Thoss, M.; Kondov, I.; Wang, H. B. Chem. Phys. 2004, 304, 169.
7. Kondov, I.; Thoss, M.; Wang, H. J. Phys. Chem. A 2006, 110, 1364.
8. Kondov, I.; Cizek, M.; Benesch, C.; Wang, H.; Thoss, M. J. Phys. Chem. 2007, 111, 11970.
9. Tsivlin, D. V.; Willig, F.; May, V. Phys. Rev. B 2008, 77, 035319.
10. Duncan, W. R.; Prezhdo, O. V. Annu. Rev. Phys. Chem. 2007, 58, 143.
11. Liu, S. H.; Miller, A. D.; Gaffney, K. J.; Szymanski, P.; Garrett-Roe, S.; Bezel, I.; Harris, C. B. J. Phys. Chem. B 2002, 106, 12908.
12. Miller, A. D.; Bezel, I.; Gaffney, K. J.; Garrett-Roe, S.; Liu, S. H.; Szymanski, P.; Harris, C. B. Science 2002, 297, 1163.
13. Onda, K.; Li, B.; Petek, H. Phys. Rev. B 2004, 70, 045415.
14. Onda, K.; Li, B.; Zhao, J.; Jordan, K. D.; Yang, J. L.; Petek, H. Science 2005, 308, 1154.
15. Onda, K.; Li, B.; Zhao, J.; Petek, H. Surf. Sci. 2005, 593, 32.
16. Li, B.; Zhao, J.; Onda, K.; Jordan, K. D.; Yang, J. L.; Petek, H. Science 2006, 311, 1436.
17. Zhao, J.; Li, B.; Jordan, K. D.; Yang, J. L.; Petek, H. Phys. Rev. B 2006, 73, 195309.
18. Zhao, J.; Li, B.; Onda, K.; Feng, M.; Petek, H. Chem. Rev. 2006, 106, 4402.
19. Tang, J.; Durrant, J. R.; Klug, D. R. J. Am. Chem. Soc. 2008, 130, 13885.
20. Sebastian, K. L.; Chakraborty, A.; Tachiya, M. J. Chem. Phys. 2003, 119, 10350.
21. Sebastian, K. L.; Chakraborty, A.; Tachiya, M. J. Chem. Phys. 2005, 123, 214704.
22. Li, X.; Tully, J. C. Chem. Phys. Lett. 2007, 439, 199.
23. Cheng, H. Z.; Shenvi, N.; Tully, J. C. Phys. Rev. Lett. 2007, 99, 053201.
24. Cukier, R. I. J. Phys. Chem. 1996, 100, 15428.
25. Cukier, R. I.; Nocera, D. G. Annu. Rev. Phys. Chem. 1998, 49, 337.
26. Soudackov, A.; Hammes-Schiffer, S. J. Chem. Phys. 2000, 113, 2385.
27. Hammes-Schiffer, S. Acc. Chem. Res. 2001, 34, 273.
28. Soudackov, A.; Hatcher, E.; Hammes-Schiffer, S. J. Chem. Phys. 2005, 122, 014505.
29. Hammes-Schiffer, S.; Soudackov, A. V. J. Phys. Chem. B 2008, 112, 14108.
30. Venkataraman, C.; Soudackov, A. V.; Hammes-Schiffer, S. J. Phys. Chem. C 2008, 112, 12386.
31. Navrotskaya, I.; Soudackov, A. V.; Hammes-Schiffer, S. J. Chem. Phys. 2008, 128, 244712.
32. Navrotskaya, I.; Hammes-Schiffer, S. J. Chem. Phys. 2009, 131, 024112.
33. Schmickler, W. J. Electroanal. Chem. 1986, 204, 31.
34. Mohr, J.-H.; Schmickler, W. Phys. Rev. Lett. 2000, 84, 1051.
35. Mohr, J.; Schmickler, W.; Badiali, J. P. Chem. Phys. 2006, 324, 140.
36. Grimminger, J.; Schmickler, W. J. Appl. Electrochem. 2006, 36, 1231.
37. Santos, E.; Koper, M. T. M.; Schmickler, W. Chem. Phys. Lett. 2006, 419, 421.
38. Santos, E.; Koper, M. T. M.; Schmickler, W. Chem. Phys. 2008, 344, 195.
39. Grimminger, J.; Schmickler, W. Chem. Phys. 2007, 334, 8.
40. Sebastian, K. L. J. Chem. Phys. 1998, 109, 1111.
41. Ramakrishna, S.; Willig, F. J. Phys. Chem. B 2000, 104, 68.
42. Ramakrishna, S.; Willig, F.; May, V. Phys. Rev. B 2000, 62, R16330.
43. Ramakrishna, S.; Willig, F.; May, V. J. Chem. Phys. 2001, 115, 2743.
44. Wang, L. X.; Ernstorfer, R.; Willig, F.; May, V. J. Phys. Chem. B 2005, 109, 9589.
45. Wang, L. X.; Willig, F.; May, V. J. Chem. Phys. 2007, 126, 134110.
46. Sebastian, K. L.; Tachiya, M. J. Chem. Phys. 2006, 124, 064713.
47. Anderson, P. W. Phys. Rev. 1961, 124, 41.
48. Newns, D. M. Phys. Rev. 1969, 178, 1123.
49. Schreiber, M.; Kondov, I.; Kleinekathofer, U. J. Lumin. 2001, 94, 471.
50. May, V.; Kuhn, O.; Schreiber, M. J. Phys. Chem. 1993, 97, 12591.
51. Wolfseder, B.; Domcke, W. Chem. Phys. Lett. 1995, 235, 370.
52. Wolfseder, B.; Domcke, W. Chem. Phys. Lett. 1996, 259, 113.
53. Egorova, D.; Kuhl, A.; Domcke, W. Chem. Phys. 2001, 268, 105.
54. Egorova, D.; Domcke, W. Chem. Phys. Lett. 2004, 384, 157.
55. Redfield, A. G. The theory of relaxation processes. In Advances in Magnetic Resonance; Waugh, J. S., Ed.; Academic Press: New York, 1965; Vol.1; pp 1-32.
56. Blum, K. Density Matrix Theory and Applications; Plenum Press: New York, 1996.
57. Pollard, W. T.; Felts, A. K.; Friesner, R. A. The Redfield equation in condensed-phase quantum dynamics. In New Methods in Computational Quantum Mechanics; Prigogine, I., Rice, S. A., Eds.; Advances in Chemical Physics Series; Wiley Interscience: New York, 1996; Vol.93; pp 77-134.
58. Venkataraman, C.; Soudackov, A. V.; Hammes-Schiffer, S. J. Chem. Phys. 2009, 131, 154502.
59. Weiss, U. Quantum Dissipative Systems; World Scientific: Singapore, 2008.
60. Mahan, G. D. Many Particle Physics; Kluwer Academic/Plenum Publishers: New York, 2000.
61. Leggett, A. J.; Chakravarty, S.; Dorsey, A. T.; Fisher, M. P. A.; Garg, A.; Zwerger, W. Rev. Mod. Phys. 1987, 59, 1.
62. Egorova, D.; Thoss, M.; Domcke, W.; Wang, H. B. J. Chem. Phys. 2003, 119, 2761.
63. Mosyak, A. A.; Prezhdo, O. V.; Rossky, P. J. J. Chem. Phys. 1998, 109, 6390.
64. Schwartz, B. J.; Rossky, P. J. J. Chem. Phys. 1996, 105, 6997.
65. Abramowitz, M.; Stegun, I. A. Handbook of Mathematical Functions; Dover Publications: New York, 1975.
66. Shenvi, N.; Roy, S.; Parandekar, P.; Tully, J. C. J. Chem. Phys. 2006, 125, 154703.
67. Borgis, D.; Hynes, J. T. J. Chem. Phys. 1991, 94, 3619.
68. Hammes-Schiffer, S.; Tully, J. C. J. Chem. Phys. 1994, 101, 4657.
69. Kim, S. Y.; Hammes-Schiffer, S. J. Chem. Phys. 2003, 119, 4389.
70. Makri, N.; Miller, W. H. J. Chem. Phys. 1989, 91, 4026.
71. Timoneda, J. J. I.; Hynes, J. T. J. Phys. Chem. 1991, 95, 10431.
72. Egger, R.; Mak, C. H. Phys. Rev. B 1994, 50, 15210.
73. Thoss, M.; Wang, H. B.; Miller, W. H. J. Chem. Phys. 2001, 115, 2991.
74. Sakurai, J. J. Modern Quantum Mechanics; Addison-Wesley: New York, 1999.
75. Kasowski, R. V.; Tait, R. H. Phys. Rev. B 1979, 20, 5168.
76. Poumellec, B.; Durham, P. J.; Guo, G. Y. J. Phys.: Condens. Matter 1991, 3, 8195.
77. Pollard, W. T.; Friesner, R. A. J. Chem. Phys. 1994, 100, 5054.