Theoretical study of no conversion on Ag/TiO2 systems. II. Rutile (110) surface

Journal of Physical Chemistry C

Volumn 116, Issue 48, 2012, Pages 25274-25285

  Mazheika, Aliaksei S ^a,b   Bredow, Thomas ^a   Ivashkevich, Oleg A ^b   Matulis, Vitaly E ^b  

^a UNIVERSITY OF BONN   (Germany)

^b BELARUSIAN STATE UNIVERSITY   (Belarus)

Author keywords

[No Author keywords available]

Indexed keywords

DIMER STRUCTURE; ELEY-RIDEAL MECHANISM; GASPHASE; GAUSSIAN-TYPE ORBITALS; LINEAR COMBINATIONS; MOLECULAR NITROGEN; NO ADSORPTION; NO CONVERSION; NO DECOMPOSITION; NO MOLECULE; PERIODIC DENSITY FUNCTIONAL THEORY CALCULATIONS; PLANE WAVE; REACTION ENERGY; SILVER CLUSTER; SILVER PARTICLES; STABLE ADSORPTION; THEORETICAL APPROACH; THEORETICAL STUDY;

ADSORPTION; DIMERS; MOLECULES; NITRIC OXIDE; OXIDE MINERALS; TITANIUM DIOXIDE;

SILVER;

EID: 84870851312     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp308812q     Document Type: Article

References (31)

1. Mazheika, A. S.; Bredow, T.; Ivashkevich, O. A.; Matulis, Vitaly E. J. Phys. Chem. C 2012, 10.1021/jp308393p
2. Pang, C. L.; Lindsay, R.; Thornton, G. Chem. Soc. Rev. 2008, 37, 2328-2353
3. Tong, X.; Benz, L.; Chrétien, S.; Kemper, P.; Kolmakov, A.; Metiu, H.; Bowers, M. T.; Buratto, S. K. J. Chem. Phys. 2005, 123, 204701-204706
4. Tong, X.; Benz, L.; Kolmakov, A.; Chrétien, S.; Metiu, H.; Buratto, S. K. Surf. Sci. 2005, 575, 60-68
5. Benz, L.; Tong, X.; Kemper, P.; Lilach, Y.; Kolmakov, A.; Metiu, H.; Bowers, M. T.; Buratto, S. K. J. Chem. Phys. 2005, 122, 081102-081105
6. Mohamed, H. H.; Dillert, R.; Bahnemann, D. J. Chem. Phys. C 2011, 115 (24) 12163-12172
7. Giordano, L.; Pacchioni, G.; Bredow, T.; Sanz, J. F. Surf. Sci. 2001, 471, 21-31
8. Mazheika, A. S.; Matulis, Vitaly E.; Ivashkevich, O. A. J. Mol. Struct. (THEOCHEM). 2010, 942, 47-54
9. Mazheika, A. S.; Matulis, Vitaly E.; Ivashkevich, O. A. J. Mol. Struct. (THEOCHEM). 2010, 950, 46-52
10. Mazheika, A. S.; Matulis, Vitaly E.; Ivashkevich, O. A. J. Mol. Struct. (THEOCHEM). 2009, 909, 75-78
11. Pillay, D.; Wang, Y.; Hwang, G. S. Catal. Today. 2005, 105, 78-84
12. Pillay, D.; Hwang, G. S. J. Mol. Struct. (THEOCHEM). 2006, 771, 129-133
13. Bredow, T.; Giordano, L.; Cinquini, F.; Pacchioni, G. Phys. Rev. B 2004, 70, 035419(1-6)
14. Hameeuw, K. J.; Cantele, G.; Ninno, D.; Trani, F.; Iadonisi, G. J. Chem. Phys. 2006, 124, 024708(1-8)
15. Burdett, J. K.; Hughbanks, T.; Miller, G. J.; Richardson, J. W., Jr.; Smith, J. V. J. Am. Chem. Soc. 1987, 109, 3639-3646
16. http://www.crystal.unito.it/Basis-Sets/Ptable.html (accessed Nov 19, 2011).
17. Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 270-283
18. Hay, P. J.; Wadt, W. R. J. Chem. Phys. 1985, 82, 299-312
19. Bergner, F.; Dolg, M.; Kuechle, W.; Stoll, H.; Preuss, H. Mol. Phys. 1993, 80, 1431-1441
20. Abad, J.; Böhme, O.; Román, E. Surf. Sci. 2004, 549, 134-142
21. Abad, J.; Böhme, O.; Román, E. Langmuir 2007, 23, 7583-7586
22. Hadjiivanov, K.; Knözinger, H. Phys. Chem. Chem. Phys. 2000, 2, 2803-2806
23. Sorescu, D. C.; Rusu, C. N.; Yates, J. T., Jr. J. Phys. Chem. B 2000, 104, 4408-4417
24. Sorescu, D. C.; Yates, J. T., Jr. J. Phys. Chem. B 2002, 106, 6184-6199
25. Grönbeck, H.; Hellman, H.; Gavrin, A. J. Phys. Chem. A 2007, 111, 6062-6067
26. Matulis, Vitaly E.; Ivashkevich, O. A.; Gurin, V. S. Comput. Lett. 2004, 1, 1-6
27. Grünert, W.; Bruckner, A.; Hofmeister, H.; Claus, P. J. Phys. Chem. B 2004, 108, 5709-5717
28. Claus, P.; Hofmeister, H. J. Phys. Chem. B 1999, 103, 2766-2775
29. Mazheika, A. S.; Bredow, T.; Matulis, Vitaly E.; Ivashkevich, O. A. J. Phys. Chem. C 2011, 115, 17368-17377
30. Matulis, Vitaly E.; Palagin, D. M.; Mazheika, A. S.; Ivashkevich, O. A. Comput. Theor. Chem. 2011, 963, 422-426
31. Liu, Z.-P.; Jenkins, S. J.; King, D. A. J. Am. Chem. Soc. 2004, 126 (23) 7336-7340