The catalytic reactions in the Cu-Li-Mg-H high capacity hydrogen storage system

被引:10
作者
Braga, M. H. [1 ]
El-Azab, A. [2 ,3 ]
机构
[1] Univ Porto, CEMUC, Fac Engn, Dept Engn Phys, P-4200465 Oporto, Portugal
[2] Purdue Univ, Sch Nucl Engn, W Lafayette, IN 47907 USA
[3] Purdue Univ, Sch Mat Engn, W Lafayette, IN 47907 USA
关键词
LITHIUM HYDRIDE; MAGNESIUM; ALLOYS;
D O I
10.1039/c4cp01815j
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
A family of hydrides, including the high capacity MgH2 and LiH, is reported. The disadvantages these hydrides normally display (high absorption/desorption temperatures and poor kinetics) are mitigated by Cu-hydride catalysis. This paper reports on the synthesis of novel CuLi0.08Mg1.42H4 and CuLi0.08Mg1.92H5 hydrides, which are structurally and thermodynamically characterized for the first time. The CuLi0.08Mg1.42H4 hydride structure in nanotubes is able to hold molecular H-2, increasing the gravimetric and volumetric capacity of this compound. The catalytic effect these compounds show on hydride formation and decomposition of CuMg2 and Cu2Mg/MgH2, Li and LiH, Mg and MgH2 is analyzed. The Gibbs energy, decomposition temperature, and gravimetric capacity of the reactions occurring within the Cu-Li-Mg-H system are presented for the first time. First principles and phonon calculations are compared with experiments, including neutron spectroscopy. It is demonstrated that the most advantageous sample contains CuLi0.08Mg1.92 and (Li) similar to Li2Mg3; it desorbs/absorbs hydrogen according to the reaction, 2CuLi(0.08)Mg(1.42)H(4) + 2Li + 4MgH(2) <-> 2CuLi(0.08)Mg(1.92) + Li2Mg3 + 8H(2) at 114 degrees C (5.0 wt%) - 1 atm, falling within the proton exchange membrane fuel cell applications window. Finally the reaction 2CuLi(0.08)Mg(1.42)H(4) + MgH2 <-> 2CuLi(0.08)Mg(1.92) + 5H(2) at 15 degrees C (4.4 wt%) - 1 atm is found to be the main reaction of the samples containing CuLi0.08Mg1.92 that were analyzed in this study.
引用
收藏
页码:23012 / 23025
页数:14
相关论文
共 41 条
  • [1] [Anonymous], 2006, MDO7230049 NRPCT
  • [2] Ansara I., 1998, DATABASE COST 507 PR, P170
  • [3] Hydrogen as a halogen in metallic hydrides
    Bardwell, DC
    [J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1922, 44 : 2499 - 2504
  • [4] LDA or GGA? A combined experimental inelastic neutron scattering and ab initio lattice dynamics study of alkali metal hydrides
    Barrera, GD
    Colognesi, D
    Mitchell, PCH
    Ramirez-Cuesta, AJ
    [J]. CHEMICAL PHYSICS, 2005, 317 (2-3) : 119 - 129
  • [5] PROJECTOR AUGMENTED-WAVE METHOD
    BLOCHL, PE
    [J]. PHYSICAL REVIEW B, 1994, 50 (24): : 17953 - 17979
  • [6] Braga MH, 2007, Z KRISTALLOGR, P299
  • [7] Study of the Cu-Li-Mg-H system by thermal analysis
    Braga, M. H.
    Ferreira, J. A.
    Wolverton, M. J.
    [J]. JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY, 2012, 108 (02) : 733 - 739
  • [8] New Promising Hydride Based on the Cu-Li-Mg System
    Braga, M. H.
    Acatrinei, A.
    Hartl, M.
    Vogel, S.
    Proffen, Th
    Daemen, L.
    [J]. INTERNATIONAL CONFERENCE ON NEUTRON SCATTERING 2009, 2010, 251
  • [9] Braga M. H., 2013, MRS P, V1496, DOI [10.1557/opl.2013.375, DOI 10.1557/OPL.2013.375]
  • [10] Braga M. H., 2012, NEUTRON DIFFRACTION