The lithium-ion battery has the advantages of high energy density, long cycle life, small
occupied volume, and high discharge voltage, which significantly promotes the development …

Solid-state light metal borohydrides represented by LiBH 4, NaBH 4, Mg (BH 4) 2, and Ca
(BH 4) 2 with high hydrogen capacity are promising media to store and transport hydrogen …

The present work gives the hydrogen dissociation energies and electronic structures of Li 8−
x Ti x B 8 F y H 32− y (x, y= 0 or/and 1) compounds by first-principles density functional …

The goal of finding efficient and safe hydrogen storage material motivated researchers to
develop several materials to fulfil the demand of the US Department of Energy (DOE). In the …

Of particular interest in the present study is ion migration in hydrides. Such motion has
profound implications for dynamic H absorption/desorption into/from the lattice of hydrides …

A systematic study for the dehydrogenation of LiBH 4 modified with Bi and S/Se/Te was
performed by first-principles density functional theory calculations. It is found that Bi-for-Li …

Lithium borohydride (LiBH4) has emerged as a promising hydrogen storage material due to
its exceptional theoretical hydrogen capacity (18.5 wt.%). However, its practical application …

In the current global energy crisis, the value of hydrogen has become better appreciated.
Metal borohydrides attract a lot of attention from researchers because they are rich in …

The present work gives the occupation energies, hydrogen dissociation energies and
electronic structures of pure (Li 8 B 8 H 32/Li 16 B 16 H 64), Ti-doped (Li 7 TiB 8 H 32/Li 15 …

Batteries play an important role in energy storage and conversion. Lithium-ion batteries
have gained high commercial interest because of their high efficiency and performances …