Structure and Thermodynamics of the Mixed Alkali Alanates
, 2005 The thermodynamics and structural properties of the hexahydride alanates (M2M'AlH6) with the elpasolite structure have been investigated. A series of mixed alkali alanates (Na2LiAlH6, K2LiAlH6 and K2NaAlH6) were synthesized and found to reversibly absorb
B. Bogdanovic +14 more
core +1 more source
Metallic Hydrides I: Hydrogen Storage and Other Gas-Phase Applications [PDF]
, 2002 A brief survey is given of the various classes of metal alloys and compounds that are suitable for hydrogen-storage and energy-conversion applications.
Bowman, Robert C., Jr., Fultz, Brent
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X-ray absorption study of Ti-activated sodium aluminum hydride
, 2004 Ti K-edge x-ray absorption near edge spectroscopy (XANES) was used to explore the Ti valence and coordination in Ti-activated sodium alanate. An empirical relationship was established between the Ti valence and the Ti K-edge onset based on a set of ...
A. Yu. Ignatov +6 more
core +1 more source
Multi-phonon scattering and Ti-induced hydrogen dynamics in sodium alanate
, 2004 We use ab initio methods and neutron inelastic scattering (NIS) to study the structure, energetics, and dynamics of pure and Ti-doped sodium alanate (NaAlH_4), focusing on the possibility of substitutional Ti doping.
B. Bogdanovic +11 more
core +1 more source
Prediction of high-Tc conventional superconductivity in the ternary lithium borohydride system [PDF]
, 2017 We investigate the superconducting ternary lithium borohydride phase diagram at pressures of 0 and 200 GPa using methods for evolutionary crystal structure prediction and linear-response calculations for the electron-phonon coupling.
Boeri, Lilia +2 more
core +2 more sources
1D and 3D Carbon Nanomaterials Derived from Zeolite‐Based Catalysts: Synthesis and Applications
Small Structures, Volume 7, Issue 3, March 2026.Zeolites act as catalysts or catalytic templates to synthesize 1D and 3D carbon nanomaterials with uniform structures, enabled by their high surface area and uniform porous frameworks. The resulting carbon nanomaterials possess excellent surface area and electronic conductivity, supporting their use in energy storage, catalysis, electronics, gas ...
Kulika Pithaksinsakul +3 more
wiley +1 more source
Innovative Approach to Hydrogen Purification: A Review on the Role of Metal Hydrides
Asia-Pacific Journal of Chemical Engineering, Volume 21, Issue 1, January/February 2026.ABSTRACT Metal hydrides, renowned for their unique hydrogen bonding capabilities, have emerged as pivotal materials in the energy sector, particularly for hydrogen storage and purification applications. Their ability to store hydrogen reversibly under moderate conditions has positioned them at the forefront in hydrogen‐based energy systems. This review
T. Mohammed Faheem +4 more
wiley +1 more source
Synthesis, characterization, and computational analysis of the dialanate dianion, [H3Al-AlH3]2− : a valence isoelectronic analogue of ethane [PDF]
, 2016 C.J. and A.S. gratefully acknowledge financial support from the Australian Research Council, while C.J. thanks the U.S. Air Force Asian Office of Aerospace Research and Development (FA2386-14-1-4043) for funding. G.F.
Bonyhady, Simon J. +4 more
core +1 more source
Vacancy-mediated hydrogen desorption in NaAlH4 [PDF]
, 2005 First-principles calculations based on density functional theory are carried out to understand the mechanisms responsible for hydrogen desorption from Ti-doped sodium-alanate (NaAlH4). While the energy needed to remove a hydrogen atom from NaAlH4 with Ti
Ahuja, R. +3 more
core +2 more sources
First-principles study of Ti-doped sodium alanate surfaces
, 2004 We have performed first-principles calculations of thick slabs of Ti-doped sodium alanate (NaAlH_4), which allows to study the system energetics as the dopant progresses from the surface to the bulk. Our calculations predict that Ti stays on the surface,
Iniguez, Jorge, Yildirim, Taner
core +1 more source