Quantitative evaluation of catalytic effect of metal chlorides on the decomposition reaction of NaAlH4

International Journal of Quantum Chemistry

Volumn 111, Issue 5, 2011, Pages 950-960

  Hirate, Hiroshi ^a   Saito, Yuki ^a   Nakaya, Ippei ^a   Sawai, Hiroshi ^a   Yukawa, Hiroshi ^a   Morinaga, Masahiko ^a   Nakai, Hiromi ^b  

^a NAGOYA UNIVERSITY   (Japan)

^b WASEDA UNIVERSITY   (Japan)

Author keywords

atomization energy; catalytic effect; decomposition reaction; quantitative evaluation; sodium alanate

Indexed keywords

ATOMIZATION ENERGIES; CATALYTIC EFFECTS; DECOMPOSITION REACTION; QUANTITATIVE EVALUATION; SODIUM ALANATE;

ATOMIZATION; CATALYSIS; CATALYSTS; CHLORINE COMPOUNDS; DESORPTION; HYDROGEN; METAL IONS; NANOSTRUCTURED MATERIALS; REACTION RATES; SODIUM COMPOUNDS;

METALS;

EID: 79551507660     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.22459     Document Type: Article

References (32)

1. Bogdanovic, B., Schwickardi, M., J Alloys Compd 1997, 253/254, 1.
2. Bogdanovic, B., Brand, R. A., Marjanovic, A., Schwickardi, M., Tölle, J., J Alloys Compd 2000, 302, 36.
3. Anton, D. L., J Alloys Compd 2003, 356-357, 400.
4. Bogdanovic, B., Felderhoff, M., Kaskel, S., Pommerin, A., Schlichte, A., Schüth, F., Adv Mater 2003, 15, 1012.
5. Wang, P., Kang, X. D., Cheng, H. M., Chemphyschem 2005, 6, 2488.
6. Suttisawat, Y., Rangsunvigit, P., Kitiyanan, B., Nuangsin, N., Kulprathipanja, S., Int J Hydrogen Energy 2007, 32, 1277.
7. Lee, G. J., Shim, J. H., Cho, Y. W., Lee, K. S., Int J Hydrogen Energy 2007, 32, 1911.
8. Sandrock, G., Gross, K., Thomas, G., J Alloys Compd 2002, 339, 299.
9. Brinks, H. W., Jensen, C. M., Srinivasan, S. S., Hauback, B. C., Blanchard, D., Murphy, K., J Alloys Compd 2004, 376, 215.
10. Singh, S., Eijt, S. W. H., Huot, J., Kockelmann, W. A., Wagemaker, M., Mulder, F. M., Acta Mater 2007, 55, 5549.
11. Baldé, C. P., Stil, H. A., van der Eerden, A. M. J., de Jong, K. P., Bitter, J. H., J Phys Chem 2007, 111, 2797.
12. Nakai, H., Chem Phys Lett 2002, 363, 73.
13. Kohn, W., Sham, L. J., Phys Rev 1965, 140, A1133.
14. Shinzato, Y., Yukawa, H., Morinaga, M., Baba, T., Nakai, H., J Alloy Compd 2007, 446, 96.
15. Shinzato, Y., Yukawa, H., Morinaga, M., Baba, T., Nakai, H., Acta Mater 2007, 55, 6673.
16. Shinzato, Y., Yukawa, H., Morinaga, M., Baba, T., Nakai, H., Adv Quantum Chem 2008, 54, 145.
17. Hirate, H., Saito, Y., Nakaya, I., Sawai, H., Shinzato, Y., Yukawa, H., Morinaga, M., Baba, T., Nakai, H., Int J Quantum Chem 2009, 109, 2793.
18. Dawson, A., Parkin, A., Parsons, S., Pulham, C. R., Young, A. L. C., Acta Crystallogr Sect E Struct Rep 2002, 58, i95.
19. Perdew, J. P., Burke, K., Wang, Y., Phys Rev B 1996, 54, 16533.
20. Milman, V., Winkler, B., White, J. A., Pickard, C. J., Payne, M. C., Akhmatskaya, E. V., Noves, R. H., Int J Quantum Chem 2000, 77, 895.
21. Vanderbilt, D., Phys Rev B 1990, 41, 7892.
22. Slater, J. C., Phys Rev 1951, 81, 385.
23. Schafer, A., Horn, H., Ahlrichs, R., J Chem Phys 1992, 97, 2571.
24. Huzinaga, S., Andzelm, J., Klobukowski, M., Radzioandzelm, E., Sakai, Y., Tatewaki, H., Gaussian Basis Sets for Molecular Calculation; Elsevier: New York, 1984.
25. Rassolo, V. A., Pople, J. A., Ratner, M., Windus, T. L., J Chem Phys 1998, 109, 1223.
26. Hehre, W. J., Ditchfield, R., Pople, J. A., J Chem Phys 1972, 56, 2257.
27. Nakai, H., Kurabayashi, Y., Katouda, M., Atsumi, T., Chem Phys Lett 2007, 438, 132.
28. Mulliken, R. S., J Chem Phys Lett 1955, 23, 1833.
29. Yukawa, H., Morisaku, N., Li, Y., Komiya, K., Rong, R., Shinzato, Y., Sekine, R., Morinaga, M., J Alloys Compd 2007, 446/447, 242.
30. Clasen, H., Angew Chem 1961, 73, 322.
31. Weast, R. C., Astle, M. J., Beyer, W. H., CRC Handbook of Chemistry and Physics: A Ready-Reference Book of Chemical and Physical Data, 84th ed.; CRC Press: Boca Raton, 2003.
32. Bai, K., Yeo, P. S. E., Wu, P., Chem Mater 2008, 20, 7539.