Structures and thermodynamics of the mixed alkali alanates

J. Graetz, Y. Lee, J. J. Reilly, S. Park, T. Vogt

Research output: Contribution to journalArticlepeer-review

75 Citations (Scopus)


The thermodynamics and structural properties of the hexahydride alanates (M2 M′ Al H6) with the elpasolite structure have been investigated. A series of mixed alkali alanates (Na2 LiAl H6, K2 LiAl H6, and K2 NaAl H6) were synthesized and found to reversibly absorb and desorb hydrogen without the need for a catalyst. Pressure-composition isotherms were measured to investigate the thermodynamics of the absorption and desorption reactions with hydrogen. Isotherms for catalyzed (4 mol% Ti Cl3) and uncatalyzed Na2 LiAl H6 exhibited an increase in kinetics, but no change in the bulk thermodynamics with the addition of a dopant. A structural analysis using synchrotron x-ray diffraction showed that these compounds favor the Fm 3̄ m space group with the smaller ion (M′) occupying an octahedral site. These results demonstrate that appropriate cation substitutions can be used to stabilize or destabilize the material and may provide an avenue to improving the unfavorable thermodynamics of a number of materials with promising gravimetric hydrogen densities.

Original languageEnglish
Article number184115
JournalPhysical Review B - Condensed Matter and Materials Physics
Issue number18
Publication statusPublished - 2005

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics


Dive into the research topics of 'Structures and thermodynamics of the mixed alkali alanates'. Together they form a unique fingerprint.

Cite this