Hydrogen adsorption on the zeolite Ca-A: DFT and FT-IR investigation

Chemical Physics Letters

Volumn 477, Issue 1-3, 2009, Pages 139-143

  Areán, C Otero ^a   Palomino, G Turnes ^a   Carayol, M R Llop ^a   Pulido, A ^b   Rubes M ^c   Bludsky O ^c   Nachtigall, P ^b  

^a UNIVERSITAT DE LES ILLES BALEARS   (Spain)

^b CHARLES UNIVERSITY   (Czech Republic)

^c INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION COMPLEX; ADSORPTION SITE; FT-IR INVESTIGATION; HYDROGEN ADSORPTION; IR SPECTROSCOPY; IR SPECTRUM; PERIODIC DFT; STRETCHING FREQUENCY; STRETCHING MODES; VARIABLE TEMPERATURE;

CALCIUM; HYDROGEN; PROBABILITY DENSITY FUNCTION; ZEOLITES;

GAS ADSORPTION;

EID: 67651052537     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.06.058     Document Type: Article

References (42)

1. Sorensen B. Hydrogen and Fuel Cells (2005), Academic Press
2. Matsuzaki Y., and Yasuda I. Solid State Ionics 132 (2000) 261
3. Trembly J.P., Marquez A.I., Ohrn T.R., and Bayless D.J. J. Power Sources 158 (2006) 263
4. Dutta N.N., and Patil G.S. Gas. Sep. Purif. 9 (1995) 277
5. Sircar S., and Golden T.C. Separ. Sci. Technol. 35 (2000) 667
6. Ockwig N.W., and Nenoff T.M. Chem. Rev. 107 (2007) 4078
7. Hong M., Falconer J.L., and Noble R.D. Ind. Eng. Chem. Res. 44 (2005) 4035
8. A.W.C. van den Berg, C.O. Arean, Chem. Commun. (2008) 668.
9. Arean C.O., Nachtigallova D., Nachtigall P., Garrone E., and Delgado M.R. Phys. Chem. Chem. Phys. 9 (2007) 1421
10. Palomino G.T., Carayol M.R.L., and Arean C.O. J. Mater. Chem. 16 (2006) 2884
11. Nachtigall P., Garrone E., Palomino G.T., Delgado M.R., Nachtigallova D., and Arean C.O. Phys. Chem. Chem. Phys. 8 (2006) 2286
12. Arean C.O., Palomino G.T., Garrone E., Nachtigallova D., and Nachtigall P. J. Phys. Chem. B 110 (2006) 395
13. R.M. Szostak, Molecular Sieves, Van Nostrand Reinhold, 1989.
14. Treacy M.M.J., and Higgins F.M. Collection of Simulated XRD Powder Patterns for Zeolites (2001), Elsevier, Amsterdam
15. Tsyganenko A.A., Storozhev P.Y., and Arean C.O. Kinet. Catal. 45 (2004) 530
16. Firor R.L., and Seff K. J. Am. Chem. Soc. 100 (1978) 3091
17. Arean C.O., Delgado M.R., Bauca C.L., Vrbka L., and Nachtigall P. Phys. Chem. Chem. Phys. 9 (2007) 4657
18. Pulido A., Nachtigall P., Delgado M.R., and Arean C.O. ChemPhysChem 10 (2009) 1058
19. Kresse G., and Hafner J. Phys. Rev. B 48 (1993) 13115
20. Kresse G., and Hafner J. Phys. Rev. B 49 (1994) 14251
21. Kresse G., and Furthmuller J. Comp. Mater. Sci. 6 (1996) 15
22. Blochl P.E. Phys. Rev. B 50 (1994) 17953
23. Kresse G., and Joubert D. Phys. Rev. B 59 (1999) 1758
24. Perdew J.P., Burke K., and Ernzerhof M. Phys. Rev. Lett. 77 (1996) 3865
25. Perdew J.P., Burke K., and Wang Y. Phys. Rev. B 54 (1996) 16533
26. Bludsky O., Rubes M., Soldan P., and Nachtigall P. J. Chem. Phys. 128 (2008) 114102
27. Arean C.O., Manoilova O.V., Palomino G.T., Delgado M.R., Tsyganenko A.A., Bonelli B., and Garrone E. Phys. Chem. Chem. Phys. 4 (2002) 5713
28. Garrone E., and Arean C.O. Chem. Soc. Rev. 34 (2005) 846
29. Vitillo J.G., Damin A., Zecchina A., and Ricchiardi G. J. Chem. Phys. 122 (2005) 114311
30. Rubes M., Nachtigall P., Vondrasek J., and Bludsky O. J. Phys. Chem. C 113 (2009) 8412
31. Arean C.O., Palomino G.T., and Carayol M.R.L. Appl. Surf. Sci. 253 (2007) 5701
32. Solans-Monfort X., et al. J. Phys. Chem. B 108 (2004) 8278
33. Ramirez-Cuesta A.J., Mitchell P.C.H., Ross D.K., Georgiev P.A., Anderson P.A., Langmi H.W., and Book D. J. Mater. Chem. 17 (2007) 2533
34. Garrone E., Bonelli B., and Arean C.O. Chem. Phys. Lett. 456 (2008) 68
35. Torres F.J., Ugliengo P., Civalleri B., Terentyev A., and Pisani C. Int. J. Hydrogen Energy 33 (2008) 746
36. Torres F.J., Vitillo J.G., Civalleri B., Ricchiardi G., and Zecchina A. J. Phys. Chem. C 111 (2007) 2505
37. Kucera J., and Nachtigall P. Phys. Chem. Chem. Phys. 5 (2003) 3311
38. Arean C.O., Manoilova O.V., Bonelli B., Delgado M.R., Palomino G.T., and Garrone E. Chem. Phys. Lett. 370 (2003) 631
39. Arean C.O., Delgado M.R., Palomino G.T., Rubio M.T., Tsyganenko N.M., Tsyganenko A.A., and Garrone E. Micropor. Mesopor. Mater. 80 (2005) 247
40. Spoto G., Gribov E., Bordiga S., Lamberti C., Ricchiardi G., Scarano D., and Zecchina A. Chem. Commun. (2004) 2768
41. Palomino G.T., Carayol M.R.L., and Arean C.O. Catal. Today 138 (2008) 249
42. Palomino G.T., et al. Int. J. Hydrogen Energy 34 (2009) 4371