Dissociation and diffusion of hydrogen on the Mg(0001) surface: Catalytic effect of V and Ni double substitution

Journal of Physical Chemistry C

Volumn 113, Issue 24, 2009, Pages 10574-10579

  Banerjee, S ^a   Pillai, C G S ^a   Majumder, C ^a  

^a BHABHA ATOMIC RESEARCH CENTRE   (India)

Author keywords

[No Author keywords available]

Indexed keywords

CATALYTIC EFFECTS; DISSOCIATION BARRIER; DOUBLE SUBSTITUTION; FIRST-PRINCIPLES INVESTIGATIONS; GENERALIZED GRADIENT APPROXIMATIONS; HYDROGEN DISSOCIATION; HYDROGEN MOLECULE; IMPURITY ATOMS; IMPURITY CONCENTRATION; MG(0001) SURFACES; PERDEW-BURKE-ERNZERHOF EXCHANGE-CORRELATION FUNCTIONAL; PLANE WAVE; PROJECTOR-AUGMENTED WAVES; PSEUDOPOTENTIAL APPROACH; SECOND LAYER; STABLE CONFIGURATION; SURFACE LAYERS;

ATOMS; DENSITY FUNCTIONAL THEORY; DISSOCIATION; HYDROGEN; NICKEL; STRONTIUM COMPOUNDS;

SURFACE DIFFUSION;

EID: 67649292491     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp9002092     Document Type: Article

References (38)

1. Alper, J. Science 2003, 299, 1686.
2. Cortright, R. D.; Davada, R. R.; d Dumesic, J. A. Nature 2002, 418, 964.
3. Chen, P.; Xiang, Z.; Luo, J. Z.; Tan, K. L. Nature 2002, 420, 302.
4. Rosi, N. L.; Eckert, J.; Eddaoudi, M.; Vodak, D. T.; Kim, J.; O'Keefe, M.; Yaghi, O. M. Science 2003, 300, 1127.
5. Schlappbach, L.; Zuttel, A. Nature 2001, 414, 353.
6. Zaluska, A.; Zaluski, L.; Strob-Olsen, J. O. Appl. Phys. A: Mater. Sci. Process. 2001, 72, 157.
7. Tsuda, M.; Dino, W. A.; Nakanishi, H.; Kasai, H. J. Phys. Soc. Jpn. 2004, 73, 2628.
8. Fukai, Y. The Metal-Hydrogen System - Basic Bulk Properties; Springer-Verlag: Berlin, 1993.
9. Griessen, R.; Riesterer, T. In Hydrogen in Intermetallic Compounds I; Schlapbach, L., Ed.; Topics in Applied Physics; Springer: Berlin, 1988; Vol.63, p 219.
10. Bogdanovic, B.; Bohmhammel, K.; Christ, B.; Reiser, A.; Schlichte, K.; Vehlen, R.; Wolf, U. J. Alloys Compd. 1999, 282, 84.
11. Arico, A. S.; Bruce, P.; Scrosati, B.; Tarascon, J. M.; Van Schalkwijk, W. Nat. Mater. 2005, 4, 366.
12. Tsuda, M.; Dino, W. A.; Kasai, H.; Nakanishi, H. Appl. Phys. Lett. 2005, 86, 21309.
13. Hanada, N.; Ichikawa, T.; Fujii, H. J. Phys. Chem. B 2005, 709, 7188.
14. Johnson, S. R.; Anderson, P. A.; Edwards, P. P.; Gameson, I.; Prendergast, J. W.; Al-Mamouri, M.; Book, D.; Harris, I. R.; Speight, J. D.; Walton, A. Chem. Commun. 2005, 2823.
15. Song, M. Y.; Mumm, D. R.; Kwon, S. N.; Hong, S. H.; Bae, J. S. J. Alloys Compd. 2006, 416, 239.
16. Bhat, V. V.; Rougier, A.; Aymard, L.; Darok, X.; Nazri, G.; Tarascon, J. M. J. Power Sources 2006, 759, 107.
17. Vermeulen, P.; Niessen, R. A. H.; Notten, P. H. L. Electrochem. Commun. 2006, 8, 27.
18. Kalisvaart, W. P.; Wondergem, H. J.; Bakker, F.; Notten, P. H. L. J. Mater. Res. 2007, 22, 1640.
19. Rousselot, S.; Bichat, M. P.; Guay, D.; Roue, L. J. Power Sources 2008, 775, 621.
20. Liang, G. J. Alloys Compd 2004, 370, 123.
21. De Castro, J. F. R.; Santos, S. F.; Costa, A. L. M.; Yavari, A. R.; Botta, W. J.; Ishikawa, T. T. J. Alloys Compd. 2004, 376, 251.
22. Charbonnier, J.; de Rango, P.; Fruchart, D.; Miraglia, S.; Pontonnier, L.; Rivoirard, S.; Skryabina, N.; Vulliet, P. J. Alloys Compd. 2004, 383, 205.
23. Hanada, N.; Ichikawa, T.; Fujii, H. J. Phys. Chem. B 2005, 709, 7188.
24. Barkhordarian, G.; Klassen, T.; Bormann, R. J. Phys. Chem. B 2006, 770, 11020.
25. Yao, X.; Wu, C.; Du, A.; Lu, G. Q.; Cheng, H.; Smith, S. C.; Zou, J.; He, Y. J. Phys. Chem. B 2006, 770, 11697.
26. Arboleda, N. B., Jr.; Kasai, H.; Nobuhara, K.; Dino, W. A.; Nakanishi, H. J. Phys. Soc. Jpn. 2004, 73, 745.
27. Du, A. J.; Smith, S. C.; Yao, X. D.; Lu, G. Q. J. Phys. Chem. B 2005, 709, 18037.
28. Du, A. J.; Smith, S. C.; Yao, X. D.; Lu, G. Q. J. Am. Chem. Soc. 2007, 729, 10201.
29. Pozzo, M.; Alfè, D.; Amieiro, A.; French, S.; Pratt, A. J. Chem. Phys. 2008, 728, 094703.
30. Banerjee, S.; Pillai, C. G. S.; Majumder, C. J. Chem. Phys. 2008), 729, 1.
31. Hohenberg, P.; Kohn, W. Phys. Rev. 1964, 136, B864.
32. Kresse, G.; Furthmuller, J. Phys. Rev. B 1996, 54, 11169.
33. Kresse, G.; Joubert, D. Phys. Rev. B 1996, 59, 1758.
34. JCPDS, International Centre for Diffraction Data. Card No. 350821.
35. Kittel, C. Introduction to Solid State Physics, 7th ed.; Wiley: New York, 1996.
36. Monkhorst, H. J.; Pack, J. D. Phys. Rev. B 1976, 13, 5188.
37. Hayden, B. E.; Schweitzer, E.; Kotz, R.; Bradshaw, A. M. Surf. Sci. 1981, 777, 26.
38. Henkelmen, G.; Jonsson, H. J. Chem. Phys. 2000, 113, 9978.