Theoretical insight on tailoring energetics of Mg hydrogen absorption/desorption through nano-engineering

Applied Physics A: Materials Science and Processing

Volumn 80, Issue 1, 2005, Pages 173-178

  Liang, J J ^a  

^a ACCELRYS INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION; BALL MILLING; DESORPTION; ENTHALPY; PROBABILITY DENSITY FUNCTION; THIN FILMS;

NANO-ENGINEERING; SPIN POLARIZATION; THERMOCHEMISTRY;

MAGNESIUM PRINTING PLATES;

EID: 10644225257     PISSN: 09478396     EISSN: None     Source Type: Journal    
DOI: 10.1007/s00339-003-2382-3     Document Type: Article

References (19)

1. L. Schlapbach, A. Zuttel: Nature 414, 353 (2001)
2. Schlapbach (Ed.): Hydrogen in Intermetallic Compounds I. Electronic, Thermodynamic, and Crystallographyic Properties, Topics in Appl. Phys. Vol 63, Springer, 1988
3. A. Zaluska, L. Zaluski, J.O. Stroem-Olsen: Appl. Phys. A 72, 157 (2001)
4. E. Akiba, H. Iba: Intermetallics 6, 461 (1998)
5. T. Kuriiwa, T. Tamura, T. Amemiya, T. Fuda, A. Kamegawa, H. Takamura, M. Okada: J. Alloys Compounds 295, 433 (1999)
6. M. Tsukahara, T. Kamiya, K. Takahashi, A. Kawabata, S. Sakurai, J. Shi, H.T. Takeshita, N. Kuriyama, T. Sakai: J. Electrochem. Soc. 147, 2941 (2000)
7. B. Delley: J. Chem. Phys. 92, 508, (1990)
8. W.G. Wyckoff In: Crystal Structures, Vol. 1, Intersci., Wiley, 1963)
9. B.H. Zachariasen, C.E. Holley, Jr, J.F. Stamper Jr.: Acta Cryst. 16, 352 (1963)
10. W.J. Hehre, L. Radom, P.V.R. Schleyer, J.A. Pople: AB Initio molecular orbital theory, Wiley, 1986
11. S. Baroni, S. de Gironcoli, A. dal Corso, P. Giannozzi: Rev. Mod. Phys. 73, 515 (2001)
12. B. Delley: J. Chem. Phys. 113, 7756 (2000)
13. J.P. Perdew, Y. Wang: Phys. Rev. B45, 13 244 (1992)
14. A.D. Becke: J. Chem. Phys. 88, 2547 (1988)
15. J.P. Perdew, K. Burke, M. Ernzerhof: Phys. Rev. Lett. 77, 3865 (1996)
16. B. Hammer, L.B. Hansen, J.K. Norskov: Phys. Rev. B 59, 7413 (1999)
17. A.D. Boese, N.C. Handy: J. Chem. Phys. 114, 5497 (2001)
18. L.V. Gurvih, I.V. Veyts, C.B. Alocock (Eds): Thermodynamic properties of individual substances, 4th ed; Vol. 2, Part I, II. (Hemisphere, NY 1990)
19. K. Zeng, T. Klassen, W. Oelerich, R. Bormann: Int. J. Hydrogen Energy 24 (1999)