The use of aluminum and gallium hydrides in materials science

A reversible hydrogen storage mechanism for sodium alanate: the role of alanes and the catalytic effect of the dopant

“…In an attempt to pin down the function, aluminium-titanium alloy phases are under investigation because of the relevance of titanium to the catalytic effect on sodium alanate cycling kinetics [13,26,29]. With the understanding acquired from our proposed mechanism, and from the growing body of reaction and analytical data for NaAlH 4 , we propose the major effect titanium exhibits on cycled sodium alanate kinetics appears to be the alteration of the surface of bulk aluminum, producing titanium-aluminum alloys, specifically TiAl 3 [18,22,26,37,38]. Preliminary calculation results indicate the surfaces of titanium-altered aluminum exhibit increased obtruding electron density, with a developed dipolar characteristic [39,40].…”

Scaling reducibility of metal oxides

“…The experimental band gap is moderate, 4.4-4.9 eV, see Table S1, and Evac (½O2) values range between 3.79 and 4.42 eV (Table S2) Note that Ga + species [97,98] have been characterized experimentally suggesting that electron transfer to Ga 3+ is possible. The energies of formation of the vacancies (Table S2) (Table S1) is the same.…”

Effect of substituents at the heteroatom on the structure and ligating properties of heterocyclic carbene, silylene, germylene and abnormal carbene: A theoretical study

“…27a Lewis base complexes of aluminium and gallium trihydride have been utilized in various fields such as organic, inorganic [28][29][30] and material chemistry. 31 Gallium trichloride is one of the most important Ga III catalysts in various organic transformations. 32 It should be expected that the addition of an NHC to gallium trichloride would lead to enhancement of its catalytic properties as well as stability.…”