Assignment of photoelectron spectra of (TiO2)n with n=1-3

Journal of Chemical Physics

Volumn 130, Issue 17, 2009, Pages

  Liu, Yuzhen ^a,b   Yuan, Yongbo ^a,b   Wang, Zhoubin ^a   Deng, Kaiming ^a,b   Xiao, Chuanyun ^a,b   Li, Qunxiang ^b  

^a NANJING UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

^b UNIVERSITY OF SCIENCE AND TECHNOLOGY OF CHINA   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ADIABATIC ELECTRON AFFINITIES; ANIONIC CHARGES; BASIS SETS; CCSD; COMPREHENSIVE STUDIES; EXPERIMENTAL DATUM; GROUND-STATE GEOMETRIES; GROUND-STATE STRUCTURES; LOCAL DENSITY FUNCTIONAL; PES EXPERIMENTS; PHOTOELECTRON SPECTRUM; REOPTIMIZATION; SINGLE-POINT CALCULATIONS; STABLE STRUCTURES; TIME-DEPENDENT DENSITY FUNCTIONAL METHODS; VERTICAL ELECTRON AFFINITIES;

CESIUM; EXCITED STATES; GROUND STATE; ISOMERS; PHOTOELECTRONS; PHOTOEXCITATION; PHOTOIONIZATION; PHOTONS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES;

PHOTOELECTRON SPECTROSCOPY;

EID: 65549117435     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3126776     Document Type: Article

References (46)

1. U. Diebold, Surf. Sci. Rep. 0167-5729 48, 53 (2003). 10.1016/S0167- 5729(02)00100-0
2. O. Carp, C. L. Huisman, and A. Reller, Prog. Solid State Chem. 0079-6786 32, 33 (2004). 10.1016/j.progsolidstchem.2004.08.001
3. T. Hirakawa and P. V. Kamat, J. Am. Chem. Soc. 0002-7863 127, 3928 (2005). 10.1021/ja042925a
4. T. L. Thompson and J. T. Yates, Jr., Chem. Rev. (Washington, D.C.) 0009-2665 106, 4428 (2006). 10.1021/cr050172k
5. S. Livraghi, M. C. Paganini, E. Giamello, A. Selloni, C. Di Valentin, and G. Pacchioni, J. Am. Chem. Soc. 0002-7863 128, 15666 (2006). 10.1021/ja064164c
6. X. Chen and S. S. Mao, Chem. Rev. (Washington, D.C.) 0009-2665 107, 2891 (2007). 10.1021/cr0500535
7. A. Fujishima, K. Hashimoto, and H. Watanabe, TiO2 Photocatalysis: Fundamentals and Application (BKC, Tokyo, 1997).
8. G. K. Mor, K. Shankar, M. Paulose, O. K. Varghese, and C. A. Grimes, Nano Lett. 1530-6984 5, 191 (2005). 10.1021/nl048301k
9. J. H. Park, S. Kim, and A. J. Bard, Nano Lett. 1530-6984 6, 24 (2006). 10.1021/nl051807y
10. S. U. M. Khan, M. Al-Shahry, and W. B. Ingler, Jr., Science 0036-8075 297, 2243 (2002). 10.1126/science.1075035
11. R. Abe, K. Sayama, K. Domen, and H. Arakawa, Chem. Phys. Lett. 0009-2614 344, 339 (2001). 10.1016/S0009-2614(01)00790-4
12. R. Abe, K. Sayama, and H. Arakawa, Chem. Phys. Lett. 0009-2614 371, 360 (2003). 10.1016/S0009-2614(03)00252-5
13. R. Abe, K. Sayama, and H. J. Sugihara, J. Phys. Chem. B 1089-5647 109, 16052 (2005). 10.1021/jp052848l
14. A. Galinska and J. Walendziewski, Energy Fuels 0887-0624 19, 1143 (2005). 10.1021/ef0400619
15. S. U. M. Khan and J. J. Akikusa, J. Electrochem. Soc. 0013-4651 145, 89 (1998). 10.1149/1.1838217
16. Y. Ohko, T. Tatsuma, T. Fujii, K. Naoi, C. Niwa, Y. Kubota, and A. Fujishima, Nature Mater. 1476-1122 2, 29 (2003). 10.1038/nmat796
17. M. Biancardo, R. Argazzi, and C. A. Bignozzi, Inorg. Chem. 0020-1669 44, 9619 (2005). 10.1021/ic0514593
18. T. He, Y. Ma, Y. Cao, H. Liu, W. Yang, and J. J. Yao, J. Colloid Interface Sci. 0021-9797 279, 117 (2004). 10.1016/j.jcis.2004.06.053
19. K. Iuchi, Y. Ohko, T. Tatsuma, and A. Fujishima, Chem. Mater. 0897-4756 16, 1165 (2004). 10.1021/cm035031i
20. J. Okumu, C. Dahmen, A. N. Sprafke, M. Luysberg, G. von Plessen, and M. Wuttig, J. Appl. Phys. 0021-8979 97, 094305 (2005). 10.1063/1.1888044
21. R. G. Palgrave and I. P. Parkin, J. Mater. Chem. 0959-9428 14, 2864 (2004). 10.1039/b406337f
22. M. Grätzel, Prog. Photovoltaics 1062-7995 8, 171 (2000). 10.1002/(SICI)1099-159X(200001/02)8:1<171::AID-PIP300>3.0.CO;2-U
23. M. Grätzel, Nature (London) 0028-0836 414, 338 (2001). 10.1038/35104607
24. M. Grätzel, MRS Bull. 0883-7694 30, 23 (2005).
25. H. J. Zhai and L. S. Wang, J. Am. Chem. Soc. 0002-7863 129, 3022 (2007). 10.1021/ja068601z
26. H. Wu and L. S. Wang, J. Chem. Phys. 0021-9606 107, 8221 (1997). 10.1063/1.475026
27. T. Albaret, F. Finocchi, and C. Noguera, J. Chem. Phys. 0021-9606 113, 2238 (2000). 10.1063/1.482038
28. S. Hamad, C. R. A. Catlow, S. M. Woodley, S. Lago, and J. A. Mejias, J. Phys. Chem. B 1089-5647 109, 15741 (2005). 10.1021/jp0521914
29. Z. Qu and G. J. Kroes, J. Phys. Chem. B 1089-5647 110, 8998 (2006). 10.1021/jp056607p
30. M. V. Ramana and D. H. Phillips, J. Chem. Phys. 0021-9606 88, 2637 (1988). 10.1063/1.454716
31. M. B. Walsh, R. A. King, and H. F. Schaefer, J. Chem. Phys. 0021-9606 110, 5224 (1999). 10.1063/1.478418
32. S. Li and D. A. Dixon, J. Phys. Chem. A 1089-5639 112, 6646 (2008). 10.1021/jp800170q
33. G. L. Gutsev, B. K. Rao, and P. Jena, J. Phys. Chem. A 1089-5639 104, 11961 (2000). 10.1021/jp002252s
34. F. Grein, J. Chem. Phys. 0021-9606 126, 034313 (2007). 10.1063/1.2429062
35. R. E. Stratmann, G. E. Scuseria, and M. J. Frisch, J. Chem. Phys. 0021-9606 109, 8218 (1998). 10.1063/1.477483
36. R. Bauernschmitt and R. Ahlrichs, Chem. Phys. Lett. 0009-2614 256, 454 (1996). 10.1016/0009-2614(96)00440-X
37. M. E. Casida, C. Jamorski, K. C. Casida, and D. R. Salahub, J. Chem. Phys. 0021-9606 108, 4439 (1998). 10.1063/1.475855
38. S. Hirata, T. J. Lee, and M. Head-Gordon, J. Chem. Phys. 0021-9606 111, 8904 (1999). 10.1063/1.480235
39. S. J. A. van Gisbergen, A. Rosa, G. Ricciardi, and E. J. Baerends, J. Chem. Phys. 0021-9606 111, 2499 (1999). 10.1063/1.479617
40. A. Rosa, E. J. Baerends, S. J. A. van Gisbergen, E. van Lenthe, J. A. Groeneveld, and J. G. Snijders, J. Am. Chem. Soc. 0002-7863 121, 10356 (1999). 10.1021/ja990747t
41. S. J. A. van Gisbergen, J. A. Groeneveld, A. Rosa, J. G. Snijiders, and E. J. Baerends, J. Phys. Chem. A 1089-5639 103, 6835 (1999). 10.1021/jp991060y
42. E. Broclawik and T. Borowski, Chem. Phys. Lett. 0009-2614 339, 433 (2001). 10.1016/S0009-2614(01)00361-X
43. B. Dai, K. Deng, J. Yang, and Q. Zhu, J. Chem. Phys. 0021-9606 118, 9608 (2003). 10.1063/1.1570811
44. M. J. Frisch, G. W. Trucks, H. B. Schlegel, GAUSSIAN 03, Gaussian, Inc., Pittsburgh, PA, 2003.
45. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys. 0008-4204 58, 1200 (1980).
46. G. Herzberg, Spectra of Diatomic Molecules (Van Nostrand, New York, 1950), Chap..