Quantum-chemical investigations of phenol and larger aromatic molecules at the TiO2 anatase (101) surface

Journal of Physics: Conference Series

Volumn 117, Issue 1, 2008, Pages

  Lenz, Annika ^a   Karlsson, Maria ^a   Ojamäe, Lars ^a  

^a LINKÖPING UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 50849129915     PISSN: 17426588     EISSN: 17426596     Source Type: Conference Proceeding    
DOI: 10.1088/1742-6596/117/1/012020     Document Type: Conference Paper

References (16)

1. Grätzel M 1989 Heterogeneous Photochemical Electron Transfer (Florida: CRC Press, Inc. Boca Raton)
2. Schnadt P A, Brühwiler L, Patthey L, O'Shea J N, Södergren S, Odelius M, Ahuja R, Karis O, Bässler M, Persson P, Siegbahn H, Lunell S and Mârtensson 2002 Nature 418 620
3. Burfeindt B, Hannappel T, Storck W and Willing F 1996 J. Phys. Chem. 100 16463
4. Zimmermann C, Willig F Ramakrishna S, Burfeindt B, Pettinger B Eichberger R and Storck W 2001 J. Phys. Chem. B 105 9245
5. Wang L, Ernstorfer R, Willig F and May V 2005 J. Phys. Chem. B 109 9589
6. Ernstorfer R, Gundlach L, Felber S, Storck W, Eichberger R and Willing F 2006 J. Phys. Chem. 5110 25383
7. Persson P, Lunell S and Ojamäe L 2002 Chem. Phys. Lett. 364 469
8. Persson P, Bergström R, Ojamäe L, Lunell S 2002 Adv. Quantum Chem. 89 172
9. Nilsing M, Persson P and Ojamäe L 2005 Chem. Phys. Lett. 415 375
10. Nilsing M, Persson P, Lundell S and Ojamäe L 2007 J. Phys. Chem. C111 12116
11. Liang K K, Lin C-K, Chan H-C, Villaeys A A, Hayashi M and Lin S H 2007 Phys. Chem. Chem. Phys. 9 853
12. Labat F and Adamo C 2007 J. Phys. Chem. C 111 15034
13. Lunell S, Stashans A, Ojamäe L, Lindström H and Hagfeldt A 1997 J. Am. Chem. Soc. 119 7374
14. Persson P and Ojamäe L 2000 Chem. Phys. Lett. 321 302
15. Frisch, M.J. et al., 2004 Gaussian 03, Gaussian Inc., Wallingford CT
16. Sanders V R, Dovesi R, Roetti C, Orlando R, Zicovich-Wilson C, Harrison N M, Doll K, Civeralleri B, Buch I J, D'Arco P and Llunell M 2003 CRYSTAL03 User's Manual Universita di Torino