First-principles Calculations of Phonon and Thermodynamic Properties of Hydrogen Storage α-LaNi 5 H
暂无分享,去创建一个
H. Ogawa | S. Saito | H. Onodera | M. Katagiri | Jun Nakamura | V. Tserolas
[1] Hui Xu,et al. High-pressure lattice dynamics and thermodynamic properties of zinc-blende BN from first-principles calculation , 2009 .
[2] T. Gao,et al. First-principles calculation of the dynamical and thermodynamic properties of LaNi5 , 2008 .
[3] Y. Shirai,et al. First-principles study of vacancy formation in LaNi5 , 2008, Journal of physics. Condensed matter : an Institute of Physics journal.
[4] L. Hector,et al. La(TM)5 hydrides (TM = Fe, Co, Ni): Theoretical perspectives , 2007 .
[5] Yu-Jun Zhao,et al. Accurate heat of formation for fully hydrided LaNi5 via the all-electron full-potential linearized augmented plane wave approach , 2007 .
[6] H. Mizuseki,et al. Terahertz phonon modes of an intermolecular network of hydrogen bonds in an anhydrous β-D-glucopyranose crystal , 2006 .
[7] Hiroshi Senoh,et al. Hydrogenation Properties of RNi5 (R: Rare Earth) Intermetallic Compounds with Multi Pressure Plateaux , 2003 .
[8] L. Hector,et al. Electronic structure calculations for LaNi5 and LaNi5H7: energetics and elastic properties , 2003 .
[9] M. Jurczyk,et al. The electronic and electrochemical properties of the LaNi5-based alloys , 2003 .
[10] R. Černý,et al. Hydrogen cycling induced degradation in LaNi5-type materials , 2002 .
[11] O. Srivastava,et al. Hydrogenation behaviour with regard to storage capacity, kinetics, stability and thermodynamic behaviour of hydrogen storage composite alloys, LaNi5/La2Ni7, LaNi3 , 1999 .
[12] G. Kresse,et al. From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .
[13] D. Pettifor,et al. Electronic structure and energetics of LaNi5, α-La2Ni10H and β-La2Ni10H14 , 1998 .
[14] Yoshiyuki Kawazoe,et al. First-Principles Determination of the Soft Mode in Cubic ZrO 2 , 1997 .
[15] Y. Kawazoe,et al. Theoretical study of phase stability in LaNi5LaCo5 alloys , 1997 .
[16] Lee,et al. Ab initio calculation of the thermodynamic properties and atomic temperature factors of SiO2 alpha -quartz and stishovite. , 1995, Physical review. B, Condensed matter.
[17] R. Radwanski,et al. The specific heat of ErNi5 and LaNi5 , 1992 .
[18] N. T. Kuznetsov,et al. The system LaNi5H2 , 1988 .
[19] J. Soubeyroux,et al. Localization of hydrogen (deuterium) in α-LaNi5Hx (x = 0.1 and 0.4) , 1987 .
[20] E. Akiba,et al. Phase transformations of the LaNi5-H2 system , 1985 .
[21] L. G. Olsson,et al. The structure and dynamics of hydrogen in LaNi5H6 studied by elastic and inelastic neutron scattering , 1983 .
[22] S. Malik,et al. Calculation of the spin-polarized energy-band structure of LaNi5and GdNi5 , 1982 .
[23] H. Flotow,et al. Experimental heat capacities of LaNi5, α‐LaNi5H0.36, and β‐LaNi5H6.39 from 5 to 300 °K. Thermodynamic properties of the LaNi5–H2 system , 1980 .