Understanding surface photochemistry from first principles: The case of CO-TiO2(1 1 0)

Chemical Physics Letters

Volumn 513, Issue 4-6, 2011, Pages 212-217

  Mehring, Matthias ^a   Klüner, Thorsten ^a  

^a UNIVERSITY OF OLDENBURG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO POTENTIAL ENERGY SURFACE; CO MOLECULE; DESORPTION MECHANISM; DYNAMICAL SIMULATION; ELECTRONIC GROUND; FIRST-PRINCIPLES; LASER INDUCED; OXYGEN ATOM; PHOTO-DESORPTION; SURFACE PHOTOCHEMISTRY; TIO;

DESORPTION; EXCITED STATES; MOLECULES; QUANTUM CHEMISTRY; QUANTUM THEORY; TITANIUM DIOXIDE;

TWO DIMENSIONAL;

EID: 80052481291     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2011.07.093     Document Type: Article

References (22)

1. M.P. de Lara-Castells, and J.L. Krause J. Chem. Phys. 118 2003 5098
2. T. Klüner, H.-J. Freund, J. Freitag, and V. Staemmler J. Chem. Phys. 104 1996 10030
3. T. Klüner, H.-J. Freund, V. Staemmler, and R. Kosloff Phys. Rev. Lett. 80 1998 5208
4. M. Pykavy, S. Thiel, and T. Klüner J. Phys. Chem. B 106 2002 12556
5. S. Borowski, T. Klüner, and H.-J. Freund J. Chem. Phys. 119 2003 10367
6. I. Mehdaoui, and T. Klüner Phys. Rev. Lett. 98 2006 037601
7. M. Xu, Y. Gao, E.M. Moreno, M. Kunst, M. Muhler, Y. Wang, H. Idriss, and C. Wöll Phys. Rev. Lett. 106 2011 138302
8. G. Karlström Comput. Mater. Sci. 28 2003 222
9. U. Diebold Surf. Sci. Rep. 48 2003 53
10. S.F. Boys, and F. Bernardi Mol. Phys. 19 1970 553
11. A. Linsebigler, G. Lu, and J.T. Yates Jr. J. Chem. Phys. 103 1995 9438
12. Z. Dohnlek, J. Kim, O. Bondarchuk, J.M. White, and B.D. Kay J. Phys. Chem. B 110 2006 6229
13. M. Kunat J. Chem. Phys. 130 2009 144703
14. B. Redlich, A. Kirilyuk, T. Hoger, G. Helden, G. Meijer, and H. Zacharias Chem. Phys. Lett. 420 2006 110
15. J.W. Gadzuk, L.J. Richter, S.A. Buntin, D.S. King, and R.R. Cavanagh Surf. Sci. 235 1990 317
16. J.W. Gadzuk Surf. Sci. 342 1995 345
17. P. Saalfrank Chem. Phys. 211 1996 265
18. C. Bach, T. Klüner, and A. Groß Chem. Phys. Lett. 376 2003 424
19. C. Bach, T. Klüner, and A. Groß Appl. Phys. A 78 2004 231
20. M. Menges, B. Baumeister, K. Al-Shamery, H.-J. Freund, C. Fischer, and P. Andresen J. Chem. Phys. 101 1994 3318
21. J.W. Gadzuk, L.J. Richter, S.A. Buntin, D.S. King, and R.R. Cavanagh Surf. Sci. 235 1990 317
22. F.M. Zimmermann Surf. Sci. 390 1997 174