Active sites for heterogeneous catalysis by functionalisation of internal and external surfaces

Catalysis Today

Volumn 93-95, Issue , 2004, Pages 535-540

  French, S A ^a   Sokol, A A ^a   To, J ^a   Catlow, C R A ^a   Phala, N S ^b   Klatt, G ^b   Van Steen, E ^b  

^a DAVY FARADAY RESEARCH LABORATORY   (United Kingdom)

^b UNIVERSITY OF CAPE TOWN   (South Africa)

Author keywords

Heterogeneous catalysis; Internal and external surfaces; Molecular modelling

Indexed keywords

CARBON DIOXIDE; DESORPTION; ELECTRONIC STRUCTURE; HYDROGENATION; METHANOL; QUANTUM THEORY; REACTION KINETICS; SILICATES; SUPERCONDUCTING MATERIALS; SYNTHESIS (CHEMICAL); TEMPERATURE PROGRAMMED DESORPTION; TRANSITION METALS;

INTERNAL AND EXTERNAL SURFACES; MOLECULAR MODELING; SOLID LATTICES;

CATALYSIS;

EID: 4344673099     PISSN: 09205861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cattod.2004.06.129     Document Type: Conference Paper

References (38)

1. Sherwood P., de Vries A.H., Collins S.J., Greatbanks S.P., Burton N.A., Vincent M.A., Hillier I.H. Faraday Discuss. 106:1997;79.
2. A.A. Sokol, S.T. Bromley, S.A. French, C.R.A. Catlow, P. Sherwood, A hybrid QM/MM embedding approach for the treatment of localised surface states in ionic materials, Int. J. Quantum Chem. (2004), in press.
3. Sherwood P., de Vries A.H., Guest M.F., Schreckenbach G., Catlow C.R.A., French S.A., Sokol A.A., Bromley S.T., Thiel W., Turner A.J., Billeter S., Terstegen F., Thiel S., Kendrick J., Rogers S.C., Casci J., Watson M., King F., Karlsen E., Sjøvoll M., Fahmi A., Schäfer A., Lennartz Ch. J. Mol. Struct. (Theochem.). 632:2003;1.
4. French S.A., Bromley S.T., Sokol A.A., Catlow C.R.A., Rogers S.C., King F., Sherwood P. Angew. Chem. 113:2001;4569.
5. Solomon E.I., Jones P.M., May J.A. Chem. Rev. 93:1993;2623.
6. Chinchen G.C., Denny P.J., Parker D.G., Spencer M.S., Whan D.A. Appl. Catal. 30:1987;333.
7. V.E. Heinrich, P.A. Cox, The Surface Science of Metal Oxides, Cambridge University Press, Cambridge, 1996.
8. Bowker M., Houghton H., Waugh K.C. J. Chem. Soc. Faraday Trans. 1(77):1981;3023.
9. Vandenbusche K.M., Froment G.F. Appl. Catal. A. 112:1994;37.
10. Bailey S., Froment G.F., Snoeck J.W., Waugh K.C. Catal. Lett. 30:1995;99.
11. Nakamura I., Nakano H., Fujitani T., Uchijima T., Nakamura J. Surf. Sci. 404:1998;92.
12. Harikumar K.R., Rao C.N.R. Appl. Surf. Sci. 125:1998;245.
13. French S.A., Sokol A.A., Bromley S.T., Catlow C.R.A., Rogers S.C., Sherwood P. J. Chem. Phys. 118(1):2003;317.
14. J.M. Thomas, W.J. Thomas, Principles and Practice of Heterogeneous Catalysis, Wiley-VCH, Weinheim, 1996.
15. Sakurai H., Tsubota S., Haruta M. Appl. Catal. A: Gen. 102:1993;125.
16. Sakurai H., Haruta M. Appl. Catal. A: Gen. 127:1995;93.
17. Sakurai H., Haruta M. Catal. Today. 29:1996;361.
18. Boccuzzi F., Chiorino A., Tsubota S., Haruta M. Sens. Actuators B. 24-25:1995;540.
19. Bond G.C., Thompson D.T. Catalysis by Gold. Catal. Rev. - Sci. Eng. 41(3/4):1999;319.
20. Sugawa S., Sayama K., Okabe K., Arakawa H. Energy Convers. Manage. 36:1995;665.
21. Meitzner G., Inglesia E. Catal. Today. 53:1999;433.
22. Nakamura J., Uchijima T., Kanai Y., Fujitani T. Catal. Today. 28:1996;223.
23. Chen H.Y., Lau S.P., Chen L., Lin J., Huan C.H.A., Tan K.L., Pan J.S. Appl. Surf. Sci. 152:1999;193.
24. Izumi Y., Kiyotaki F., Nagamori H., Minato T. J. Electron. Spectrosc. Relat. Phenom. 119:2001;193.
25. D.R. Lide (Ed.), CRC Handbook of Chemistry and Physics, CRC Press, London, 2003.
26. Bromley S.T., French S.A., Sokol A.A., Catlow C.R.A., Sherwood P. J. Phys. Chem. B. 107(29):2003;7045.
27. Corma A. J. Catal. 216:2003;298.
28. R.K. Grasselli, A.W. Sleight, Structure-Activity and Selectivity Relationships in Heterogeneous Catalysis, Elsevier Science, Amsterdam, 1991, p. 243.
29. Fejes P., Nagy J.B., Kovacs K., Vanko G. Appl. Catal. A. 145:1996;155.
30. Mal N.K., Ramaswamy A.V. J. Mol. Catal. A. 105:1996;149.
31. Rakshe B., Ramaswamy V., Hegde S.G., Vetrivel R., Ramaswamy A.V. Catal. Lett. 45:1997;41.
32. A. Corma, M.J. Diaz-Cabanas, H. Garcia, E. Palomares, Chem. Commun. (2001) 2148.
33. Blanco T., Corma A., Diaz-Cabanas A.J., Rey F., Vidal-Moya J.A., Zicovich-Wilson C.M. J. Phys. Chem. B. 106:2002;2634.
34. Bordiga S., Coluccia S., Lamberti C., Marchese L., Zecchina A. J. Phys. Chem. 98:1994;4125.
35. Hijar C.A., Jacubinas R.M., Eckert J., Henson N.J., Hay P.J., Ott K.C. J. Phys. Chem. B. 104:2000;12157.
36. Schäfer A., Horn H., Ahlrichs R. J. Chem. Phys. 97:1992;2571 Schäfer A., Huber C., Ahlrichs R. J. Chem. Phys. 100:1994;5829.
37. Schäfer A., Horn H., Ahlrichs R. J. Chem. Phys. 97:1992;2571 Schäfer A., Huber C., Ahlrichs R. J. Chem. Phys. 100:1994;5829.
38. Dolg M., Wedig U., Stoll H., Preuss H. J. Chem. Phys. 86:1987;866.