DFT study of the thermodynamic stability of Pd-Pt bulk oxide phases

Journal of Physical Chemistry C

Volumn 112, Issue 35, 2008, Pages 13623-13628

  Dianat, Arezoo ^a   Seriani, Nalicola ^b   Bobeth, Manfred ^a   Pompe, Wolfgang ^a   Ciacchi, Lucio Colombi ^c,d  

^a DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF VIENNA   (Austria)

^c FRAUNHOFER INSTITUTE FOR MECHANICS OF MATERIALS IWM   (Germany)

^d UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYSIS; CATALYST ACTIVITY; NONMETALS; OXYGEN; PALLADIUM; PLATINUM; THERMODYNAMICS;

BI-METALLIC CATALYST; CATALYTIC COMBUSTION; DFT STUDY; OPERATION CONDITIONS; OXIDE PHASES;

THERMODYNAMIC STABILITY;

EID: 52649110237     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp8035742     Document Type: Article

References (42)

1. Lapisardi, G.; Gelin, P.; Kaddouri, A.; Garbowski, E.; Da Costa, S. Top. Catal. 2007, 42-43, 461.
2. Persson, K.; Jansson, K.; Järås, S. J. Catal. 2007, 245, 401.
3. Maione, A.; André, F.; Ruiz, P. Appl. Catal., B 2007, 75, 59.
4. Ciuparu, D.; Lyubovsky, M. R.; Altaian, E.; Pfefferle, L. D.; Datye, A. Catal. Rev. 2002, 44, 593.
5. Persson, K.; Ersson, A.; Jansson, K.; Fierro, J. L. G.; Järås, S. G. J. Catal. 2006, 243, 14.
6. Persson, K.; Pfefferle, L. D.; Schwartz, W.; Ersson, A.; Järås, S. G. Appl. Catal, B 2007, 74, 242.
7. Bönnemann, H.; Richards, R. M. Eur. J. Inorg. Chem. 2001, 2001, 2455.
8. Gross, A. Top. Catal. 2006, 37, 29.
9. Lopez, N.; Nørskov, J. K. Surf. Sci. 2001, 477, 59.
10. Punnoose, A.; Seehra, M. S.; Wender, I. Fuel Process. Technol. 2001, 74, 33.
11. Cioparu, D.; Altaian, E.; Pfefferle, L. J. Catal. 2001, 203, 64.
12. Reuter, K. In Nanocatalysis: Principles, Methods, Case Studies; Heiz, V., Hankkinen, H., Landman, U., Eds.; Springer: Berlin, 2005.
13. Seriani, N.; Pompe, W.; Colombi Ciacchi, L. J. Phys. Chem. B 2006, 110, 14860.
14. Hayes, F. H.; Kubaschewski, O. Met. Sci. J. 1971, 5, 37.
15. Muller, O.; Roy, R. J. Less-Common Met. 1968, 16, 129.
16. McBride, J. R.; Graham, G. W.; Peters, C. R.; Weber, W. H. J. Appl. Phys. 1991, 69, 1596.
17. Rogers, D.; Shannon, R.; Gillson, J. J. Solid State Chem. 1971, 3, 314.
18. Rogal, J.; Reuter, K.; Scheffler, M. Phys. Rev. B 2004, 69, 75421.
19. Nell, J.; O'Neill, H. St. C. Geochim. Cosmochim. Acta 1996, 60, 2487.
20. Wang, C.-B.; Lin, H.-K.; Hsu, S.-N.; Huang, T.-H.; Chiu, H.-C. J. Mol. Catal. A 2002, 188, 201.
21. Seriani, N.; Jin, Z.; Pompe, W.; Colombi Ciacchi, L. Phys. Rev. B 2007, 76, 155421.
22. Perdew, J. P.; Burke, K.; Ernzerhof, M. Phys. Rev. Lett. 1996, 77, 3865.
23. Blochl, P. Phys. Rev. B 1994, 50, 17953.
24. Kresse, G.; Joubert, D. Phys. Rev. B 1999, 59, 1758.
25. Kresse, G.; Hafher, J. Phys. Rev. B 1993, 47,558;
26. 1994, 49, 14251.
27. Kresse, G.; Furthmüller, J. J. Comput. Mater. Sci. 1996, 6, 15.
28. Kresse, G.; Furthmüller, J. Phys. Rev. B 1996, 54, 11169.
29. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188.
30. Dianat, A.; Zimmermann, J.; Seriani, N.; Bobeth, M.; Pompe, W.; Colombi Ciacchi, L. Surf. Sci. 2008, 602, 876.
31. Reuter, K.; Scheffler, M. Phys. Rev. B 2001, 65, 35406.
32. Neugebauer, J.; van de Walle, C. G. Phys. Rev. B 1995, 51, 10568.
33. Otto, J.; Thomas, W. In Landolt-Börnstein, 6th ed.; Hausen, H., Ed.; Springer-Verlag: Berlin, 1967; Vol. IV/4a, pp 230-231.
34. Gelin, P.; Primet, M. Appl. Catal., B 2002, 39, 1.
35. Shaplygin, I. S.; Aparnikov, G. L.; Lazarev, V. B. Russ. J. Inore. Chem. 1978, 23, 488.
36. Demazeau, G.; Matar, S. F.; Pöttgen, R. Z. Namrforsch. 2007, 62b, 949.
37. Wang, C. B.; Huang, T. H. Thermochim. Acta 2002, 381, 37.
38. Oh, S.-H.; Hoflund, G. B. J. Phys. Chem. A 2006, 110, 7609.
39. Li, W. X.; Österlund, L.; Vestergaard, E. K.; Vang, R. T.; Matthiesen, J.; Pedersen, T. M.; Lægsgaard, E.; Hammer, B.; Besenbacher, F. Phys. Rev. Lett. 2004, 93, 146104.
40. http://www.webelements.com/.
41. Lu, Z. W.; Wei, S. H.; Zunger, A. Phys. Rev. Lett. 1991, 66, 1753.
42. Wang, C.-B.; Yeh, C.-T. Appl. Catal., A 2001, 209, 1.