A DFT study on CO oxidation over Co3O4

Journal of Catalysis

Volumn 210, Issue 1, 2002, Pages 198-206

  Broqvist, Peter ^a   Panas, Itai ^a   Persson, Hans ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0037102074     PISSN: 00219517     EISSN: None     Source Type: Journal    
DOI: 10.1006/jcat.2002.3678     Document Type: Article

References (32)

1. Leaners, G., Sci. Total Environ. 189/190, 139 (1996).
2. Rijkeboer, R. C., Catal. Today 11, 141 (1991).
3. Panas, I., and Siegbahn, P., Chem. Phys. Lett. 153, 5 (1988).
4. Burk, P. L., Hochmuth, J. K., Anderson, D. R., Sung, S., Punke, A., Dahle, U., Tauster, S. J., Tolentino, C. O., Rogalo, J., Miles, G., Mignano, M., and Niejako, M., Stud. Surf. Sci. Catal. 96, 919 (1995).
5. Thormählen, P., Skoglundh, M., Fridell, E., and Andersson, B., J. Catal. 188, 300 (1999).
6. Yao, Y. Yu., J. Catal. 33, 108 (1974).
7. Drago, R. S., Jurczyk, K., Singh, D. J., and Young, V., Appl. Catal. B 6, 155 (1995).
8. Garbowski, E., Guenin, M., Marion, M. C., and Primet, M., Appl. Catal. 64, 209 (1990).
9. Meng, M., Lin, P. Y., and Fu, Y. L., Catal. Lett. 48, 213 (1997).
10. Cunningham, D. A. H., Kobayashi, T., Kamijo, N., and Haruta, M., Catal. Lett. 25, 257 (1994).
11. Boreskov, G. K., in "Catalysis: Science and Technology" (J. R. Andersson and M. Bourdart, Eds.), Vol. 3, p. 39. Springer-Verlag, Berlin, 1982.
12. Shelef, M., Otto, K., and Gandhi, H., J. Catal. 12, 361 (1968).
13. Jansson, J., J. Catal. 194(1), 55 (2000).
14. Mars, P., and van Krevelen, D. W., Chem. Eng. Sci. 3(Suppl.), 41 (1954).
15. Ziólkowski, J., and Barbaux, Y., J. Mol. Catal. 67, 119 (1991).
16. Iwasawa, Y., Adv. Catal. 35, 8822 (1987).
17. Kohn, W., and Sham, L. J., Phys. Rev. 140, 1133 (1965).
18. Perdew, J. P., Burke, K., and Ernzerhof, M., Phys. Rev. Lett. 77(18), 3865 (1996).
19. Payne, M. C., Teter, M. P., Allan, D. C., Arias, T. A., and Joannopoulus, J. D., Rev. Mod. Phys. 64(4) 1045 (1992).
20. 2 available from Accelrys, formerly Molecular Simulations, Inc.
21. Monkhorst, H. J., and Pack, J. D., Phys. Rev. B 13, 5188 (1976).
22. Sorescu, D. C., and Yates, J. T., J. Phys. Chem. B 102, 4556 (1998).
23. Vanderbilt, D., Phys. Rev. B 41(11), 7892 (1990).
24. Fischer, T. H., and Almlöf, J., J. Phys. Chem. 96, 9768 (1992).
25. Knop, O., Reid, K. I. E., Sutaru, O., and Nakagawa, Y., Can. J. Chem. 46, 3463 (1968).
26. Lide, D. R., Ed., "CRC Handbook of Chemistry and Physics," 73rd ed. CRC Press, Boca Raton, FL, 1992-1993.
27. Becke, A. D., J. Chem. Phys. 98, 5648 (1993).
28. Lee, C., Yang, W., and Parr, R. G., Phys. Rev. B 37, 785 (1988).
29. Vosko, S. H., Wilks, L., and Nusair, M., Can. J. Phys. 58, 1200 (1980).
30. Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., Strain, M. C., Burant, J. C., Stratmann, R. E., Dapprich, S., Kudin, K. N., Millam, J. M., Daniels, A. D., Petersson, G. A., Montgomery, J. A., Zakrzewski, V. G., Raghavachari, K., Ayala, P. Y., Cui, Q., Morokuma, K., Foresman, J. B., Cioslowski, J., Ortiz, J. V., Barone, V., Stefanov, B. B., Liu, G., Liashenko, A., Piskorz, P., Chen, W., Wong, M. W., Andres, J. L., Replogle, E. S., Gomperts, R., Martin, R. L., Fox, D. J., Keith, T., Al-Laham, M. A., Nanayakkara, A., Challacombe, M., Peng, C. Y., Stewart, J. P., Gonzalez, C., Head-Gordon, M., Gill, P. M. W., Johnson, B. G., and Pople, J. A, Gaussian98, Gaussian, Inc., Pittsburgh, PA, 1998.
31. Roth, W. L., J. Phys. Chem. Solids 25, 1 (1964).
32. Atkins, P. W., "Physical Chemistry," 6th ed. Oxford Univ. Press, Oxford, 1998.