Characterisation of mechanochemically synthesised alane (AlH3) nanoparticles

M Paskevicius, DA Sheppard, CE Buckley - Journal of Alloys and …, 2009 - Elsevier
A mechanochemical synthesis process has been used to synthesise alane (AlH3)
nanoparticles. The alane is synthesised via a chemical reaction between lithium alanate …

Hydrogen desorption behaviors of γ-AlH3: diverse decomposition mechanisms for the outer layer and the inner part of γ-AlH3 particle

S Gao, H Liu, X Wang, L Xu, S Liu, P Sheng… - International journal of …, 2017 - Elsevier
Aluminium hydride (AlH 3) is a promising hydrogen storage material because it possesses a
high theoretical hydrogen capacity of 10.01 wt%. However, the stability and decomposition …

Equation of state of the high-pressure Fe3O4 phase and a new structural transition at 70 GPa

A Ricolleau, Y Fei - American Mineralogist, 2016 - degruyter.com
We have investigated the high-pressure behavior of Fe3O4 by in situ X-ray diffraction
measurements from 11 to 103 GPa. Up to 70 GPa, the previous observed high-pressure …

Hydrogen in magnesium alanate Mg (AlH4) 2, aluminum and magnesium hydrides

ZA Matysina, AD Zolotarenko, AD Zolotarenko… - International Journal of …, 2023 - Elsevier
The developed statistical theory of thermal phase transformations in magnesium alanate,
which are realized with increasing temperature, made it possible to explain and justify the …

Stability and mobility of native point defects in AlH3

L Ismer, A Janotti, CG Van de Walle - Journal of alloys and compounds, 2011 - Elsevier
We investigate the properties of native point defects in AlH3 using density functional theory
(DFT). The results indicate that mass transport in AlH3 is mediated by positively charged …

Ab initio studies on phase transition, thermoelastic, superconducting and thermodynamic properties of the compressed cubic phase of AlH3

YK Wei, NN Ge, XR Chen, GF Ji, LC Cai… - Journal of Applied …, 2014 - pubs.aip.org
The phase transition, thermoelastic, lattice dynamic, and thermodynamic properties of the
cubic metallic phase AlH 3 were obtained within the density-function perturbation theory …

First-principles studies on the structural stability of α-AlH3 under pressure

YL Lu, H Zhao - Modelling and Simulation in Materials Science …, 2012 - iopscience.iop.org
Pressure-induced structure transitions and electronic structures in α-AlH 3 are investigated
using the first-principles plane wave pseudopotential method within the generalized …

A nanostructural investigation of mechanochemically synthesised hydrogen storage materials

M Paskevicius - 2009 - espace.curtin.edu.au
Aluminium, aluminium hydride (alane), and magnesium hydride nanoparticles have been
mechanochemically synthesised in order to study their hydrogen sorption properties in …

Electronic structures and thermodynamic stabilities of aluminum-based deuterides from first principles calculations

XQ Ye, DL Luo, G Sang, BY Ao - Chinese Physics B, 2011 - iopscience.iop.org
The alanates (complex aluminohydrides) have relatively high gravimetric hydrogen
densities and are among the most promising solid-state hydrogen-storage materials. In this …

[CITAAT][C] Electronic structures and thermodynamic stabilities of aluminum-based deuterides from first principles calculations

叶小球, 罗德礼, 桑革, 敖冰云 - Chinese Physics B, 2011