Nature of copper active sites in CuZSM-5: Theory and experiment

International Journal of Molecular Sciences

Volumn 3, Issue 4, 2002, Pages 435-444

  Broclawik, Ewa ^a   Datka, Jerzy ^b   Gil, Barbara ^b   Kozyra, Pawel ^b  

^a INSTITUTE OF CATALYSIS AND SURFACE CHEMISTRY   (Poland)

^b JAGIELLONIAN UNIVERSITY   (Poland)

Author keywords

Active sites; CuZSM 5; deNOx; Density functional theory; Molecular modeling

Indexed keywords

BRIDGED COMPOUND; COPPER; NITRIC OXIDE; ZEOLITE;

ADSORPTION; ARTICLE; CATION EXCHANGE; CHEMICAL BOND; CHEMICAL STRUCTURE; COMPLEX FORMATION; DENSITY FUNCTIONAL THEORY; ELECTRON TRANSPORT; MOLECULAR INTERACTION; MOLECULAR MODEL; OXIDATION REDUCTION REACTION;

EID: 0038191749     PISSN: 14220067     EISSN: None     Source Type: Journal    
DOI: 10.3390/i3040435     Document Type: Article

References (28)

1. Iwamoto, M. Stud. Surf. Sci. Catal., 2000, 130, 23.
2. Kuroda, Y.; Maeda, H.; Yoshikawa, Y.; Kumashiro, R.; Nagao, M. J. Phys. Chem. B 1997, 101, 1312.
3. Hall, W. K. J. Phys. Chem. B, 1997. 101, 1979.
4. Polomino, G. T.; Fisicaro, P.; Bordiga, S.; Zecchina, A.; Giamello, E.; Lamberti, C. J. Phys. Chem. B, 2000, 104, 4064.
5. Sobalik, Z.; Tvaruzkova, Z.; Wichterlova, B. J. Phys. Chem., 2000, 102, 1077
6. Slinkin, A.; Kucherov, A.V. Catal. Today 1997, 36, 485; Kucherov, A. V.; Shigapov, A.N.; Ivanov, A.A.; Shelef, M. J. Catal, 1999, 186, 334.
7. Slinkin, A.; Kucherov, A.V. Catal. Today 1997, 36, 485; Kucherov, A. V.; Shigapov, A.N.; Ivanov, A.A.; Shelef, M. J. Catal, 1999, 186, 334.
8. Zecchina, A.; Bordiga, S.; Salvagio, M.; Spoto, G.; Scarano, D.; Lamberti, C. J. Catal., 1998, 173, 540.
9. Beutel, T.; Sarkany, J.; Lei, G. D.; Jan, J. Y.; Sachtler, W. M. H. J. Phys. Chem., 1996, 100, 845.
10. Dedecek, J.; Wichtlerowa, B. Phys. Chem. Chem. Phys. 1999, 1, 629, and references therein
11. Wichterlova, B.; Dedecek, J.; Sobalik, Z.; Vondrova, A.; Klier, K. J. Catal. 1997, 169, 194.
12. Lei, G. D.; Adejman, B.J.; Sarkany, J.; Sachtler, W.M.H. Appl. Catal. B, 1995, 5, 245.
13. Sartkany, J. J. Mol. Struct., 1997, 410-411, 145.
14. Sobalik, Z. Microp. Mesopor. Mater., 1998, 21, 525.
15. Sobalik, Z.; Tvaruzkova, Z.; Wichterlova, B. J. Phys. Chem., 1998, 102, 1077.
16. Broclawik, E.; Datka, J.; Gil, B.; Kozyra, P. Phys. Chem. Chem. Phys., 2000, 2, 401.
17. Broclawik, E.; Datka, J.; Gil, B.; Piskorz, W.; Kozyra, P. Topics in Catalysis, 2000, 11/12, 335.
18. Sayle, D.C.; Richard, C.; Catlow, A.; Gale, J. D.; Perrin, M. A.; Nortier, P. J. Phys. Chem. A, 1997, 101, 3331.
19. Nachtigallova, D.; Nachtigall, P.; Sierka, M.; Sauer, J. Phys. Chem. Chem. Phys. 1999, 1, 2019.
20. Rice, M. J.; Chakraborty, A. K.; Bell, A. T. J. Catal, 2000, 194, 278.
21. Nachtigall, P.; Nachtigallova, D.; Sauer, J. J. Phys. Chem. B 2000, 104, 1738.
22. Nachtigallova, D.; Nachtigall, P.; Sauer, J. Phys. Chem. Chem. Phys. 2001, 3, 1552.
23. DMol, Insight II release 96.0, User Guide, San Diego: Molecular Simulations, 1996.
24. Broclawik, E. In Modern Density Functional Theory: A Tool for Chemistry; Seminario, J.M. and Politzer, P., Eds; Elsevier: Amsterdam, 1995; p. 349.
25. Dedecek, J.; Sobalik, Z.; Tvaruzkova, Z.; Kaucky, D.; Wichterlova, B. J. Phys. Chem. 1995, 99, 16327.
26. th Int. Zeolite Conf. In Baltimore; Treacy, M.M.J.; Marcus, B. K.; Bisher, M. E. and Higgins, J. B., Eds., MRS, 1999; p. 941.
27. Broclawik, E.; Datka, J.; Gil, B.; Kozyra, P. Topics in Catalysis, in print.
28. Broclawik, E.; Datka, J.; Gil, B. Kozyra, P. J. Phys. Chem, submitted.