Ab initio modeling of TiO2 nanosheets

Theoretical Chemistry Accounts

Volumn 120, Issue 4-6, 2008, Pages 551-556

  Vittadini, Andrea ^a   Casarin, Maurizio ^a  

^a UNIVERSITY OF PADOVA   (Italy)

Author keywords

Density functional calculations; Nanosheets; Titanium dioxide

Indexed keywords

EID: 45449109818     PISSN: 1432881X     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00214-008-0425-8     Document Type: Article

References (43)

1. Diebold U (2003). Surf Sci Rep 48: 53
2. Hagfelt A and Grätzel M (1995). Chem Rev 95: 49
3. Hadjivanov KI and Klissurski DG (1996). Chem Soc Rev 25: 61
4. Ranade MR, Navrotski A, Zhang HZ, Banfield JF, Elder SH, Zaban A, Borse PH, Kulkarni SK, Doran GS and Whitfield HJ (2002). Proc Natl Acad Sci 99: 6481
5. Saponjic Z, Dimitrijvic NM, Tiede DM, Goshe AJ, Zuo X, Chen LX, Barnard AS, Zapol P, Curtiss L and Rajh T (2005). Adv Mater 17: 965
6. Bavykin DV, Friedriech JM and Walsh FC (2006). Adv Mater 18: 2807
7. Orzali T, Casarin M, Granozzi G, Sambi M and Vittadini A (2006). Phys Rev Lett 97: 156101
8. Zhang Y, Giordano L, Pacchioni G, Vittadini A, Sedona F, Finetti P, Granozzi G (2007) Surf Sci (2007) 601:3488
9. Sato H, Ono K, Sasaki T and Yamagishi A (2003). J Phys Chem B 107: 9824
10. Sasaki T, Watanabe M, Michiue Y, Komatsu Y, Izumi F and Takenouchi S (1995). Chem Mater 7: 1001
11. Unal U, Matsumoto Y, Tanaka N, Kimura Y and Tamoto N (2003). J Phys Chem B 107: 12680
12. Zhou Y, Ma R, Ebina Y, Takada K and Sasaki T (2006). Chem Mater 18: 1235
13. Osada M, Ebina Y, Fukuda K, Ono K, Takada K, Yamaura K, Takayama-Muromachi E and Sasaki T (2006). Phys Rev B 73: 153301
14. Chen Q, Du GH, Zhang S and Peng L-M (2002). Acta Crystallogr B 58: 587
15. Wang W, Varghese OK, Paulose M, Grimes CA, Wang Q and Dickey EC (2004). J Mater Res 19: 417
16. Enyashin AN and Seifert G (2005). Phys Stat Sol (b) 242: 1361
17. Ma R, Fukuda K, Sasaki T, Osada M and Bando Y (2005). J Phys Chem B 109: 6210
18. Wen B, Liu C and Liu Y (2005). Chem Lett 34: 396
19. Wang F, Jiu J, Pei L, Nakagawa K, Isoda S and Adachi M (2005). Chem Lett 34: 1238
20. Zhang S, Chen Q and Peng L-M (2005). Phys Rev B 71: 014104
21. Kukovecz A, Hodos N, Horvath E, Radnoczi G, Konia Z and Kiricsi I (2005). J Phys Chem B 109: 17781
22. Umek P, Cevc P, Jesih A, Gloter A, Ewels CP and Arcon D (2005). Chem Mater 17: 5945
23. Nian J-N and Teng H (2006). J Phys Chem B 110: 4193
24. Mao Y and Wong SS (2006). J Am Chem Soc 128: 8217
25. Tsai C-C and Teng H (2006). Chem Mater 18: 367
26. Wu D, Liu J, Zhao X, Li A, Chen Y, Ming N (2006) Chem Mater (2006) 18:547
27. Riss A, Berger T, Grothe H, Bernardi J, Diwald O, Knozinger (2007) Nano Lett 7:433
28. Morgado E, Moure GT, Marinkovich BA, Jardim PM, Araujo AS and Abreu MAS (2007). Chem Mater 19: 665
29. Alvarez-Ramirez F and Ruiz-Morales Y (2007). Chem Mater 17: 2947
30. Lazzeri M, Vittadini A and Selloni A (2001). Phys Rev B 63: 155409
31. Lazzeri M, Vittadini A, Selloni A (E) (2002) Phys Rev B 65:119901
32. Vanderbilt D (1990). Phys Rev B 41: 7892
33. Perdew JP, Burke K and Ernzerhof M (1996). Phys Rev Lett 77: 3865
34. Wentzcovitch RM (1991). Phys Rev B 44: 2358
35. Selloni A and Lazzeri M (2001). Phys Rev Lett 87: 266105
36. Bredow T, Giordano L, Cinquini F and Pacchioni G (2004). Phys Rev B 70: 035419
37. Selloni A, Vittadini A and Grätzel M (1998). Surf Sci 219: 402-404
38. Vittadini A, Selloni A, Rotzinger FP and Grätzel M (1998). Phys Rev Lett 81: 2954
39. Vittadini A, Selloni A, Rotzinger FP and Grätzel M (2000). J Phys Chem B 104: 1300
40. Vittadini A and Selloni A (2002). J Chem Phys 117: 353
41. Tilocca A and Selloni A (2004). J Phys Chem B 108: 19314
42. Baroni S, dal Corso A, de Gironcoli S, Giannozzi P, Cavazzoni C, Ballabio G, Scandolo S, Chiarotti, G, Focher P, Pasquarello A, Laasonen K, Trave A, Car R, Marzari N, Kokalj A, http://www.pwscf.org/
43. Kokalj A, Comp Mater Sci (2003) 28:155 Code available from http://www.xcrysden.org/