Intermetallic Materials for High-Capacity Hydrogen Storage Systems.

In this article, we provide an overview of hydrogen storage materials, taking our previous results as examples. Towards the end of the paper, we present a case study in order to highlight the effects of substitutional alloying, compositional additives, and nanostructuring on the hydrogen sorption properties of magnesium-based intermetallics. Specifically, partial substitution of Mg by Li and d-elements by p-elements leads to structural changes, inducing disorder and the formation of high-entropy alloys.

Crystal, electronic structure and hydrogenation properties of the MgNiGe cluster phase with a new type of polyhedron.

The ternary germanide MgNiGe (cubic, space group Fm-3m, cF116) belongs to the structural family based on the ThMn-type. The Ge1 and Ge2 atoms fully occupy the 4a (m-3m symmetry) and 24d (m.mm) sites, respectively.

Synthesis, crystal structure and hydrogenation properties of MgLiB ( = 1.11, = 0.40).

The ternary magnesium/lithium boride, MgLiB ( = 1.11, = 0.40, idealized formula MgLiB), crystallizes as its own structure type in 422, which is closely related to the structural family comprising α-AlB, BeAlB and tetra-gonal β-boron.

A new ternary derivative of the Laves phases in the Mg-Co-Ga system.

Crystal structures of MgCoGa, MgCoGa and MgCoGa phases from the Mg-Co-Ga system were investigated using single-crystal diffraction. These structures belong to the family of so-called Laves phases. Hexagonal MgCoGa crystallizes as a disordered phase within the MgZn structure type.

MgMnGa: a novel three-shell gallium cluster structure.

The new ternary gallide MgMnGa (magnesium tetramanganese octadecagallium) was synthesized and its crystal structure determined by means of single-crystal X-ray diffraction. The MgMnGa structure can be described as that of a three core-shell cluster compound. The Mg atoms are surrounded by 16 adjacent Ga atoms, [MgGa], and the respective coordination polyhedron is an octadecahedron.

Enhancement of YPrSbM (M = Sn, Pb) Electrodes for Lithium- and Sodium-Ion Batteries by Structure Disordering and CNTs Additives.

The maximally disordered (MD) phases with the general formula YPrSbM (M = Sn, Pb) are formed with partial substitution of Y by Pr and Sb by Sn or Pb in the binary YSb compound. During the electrochemical lithiation and sodiation, the formation of YPrSbMLi and YPrSbMNa maximally disordered-high entropy intermetallic phases (MD-HEIP), as the result of insertion of Li/Na into octahedral voids, were observed. Carbon nanotubes (CNT) are an effective additive to improve the cycle stability of the YPrSbM (M = Sn, Pb) anodes for lithium-ion (LIBs) and sodium-ion batteries (SIBs).

Structural and enhanced hydrogen storage properties of the LiMgSiAl phase.

The multicomponent alumosilicide LiMgSiAl (cubic, space group I-43d, cI76) belongs to the structural family based on the CuSi type. The Li atoms are ordered and occupy the site with symmetry 1 and the Mg atoms occupy the site with -4..

New cubic cluster phases in the Mg-Ni-Ga system.

The crystal structure of new MgNiGa and MgNiGa compounds were investigated by single-crystal diffraction. Both structures can be described as three-core-shell cluster compounds. In the MgNiGa structure, the [NiGa] icosahedron is encapsulated within the [Mg] dodecahedron, which is again encapsulated within a [NiGa] fullerene-like truncated icosahedron, thus the three core-shell cluster [NiGa@Mg@NiGa] results.

A new monoclinic structure type for ternary gallide MgCoGa.

The crystal structure of MgCoGa (magnesium cobalt digallide) was solved by direct methods and refined in two space groups as P2/c (standard choice) and P2/n (non-standard choice). The refined lattice parameters for the standard choice are a = 5.1505 (2), b = 7.

LiMgCuAl: a new ordered quaternary superstructure to the icosahedral T-Mg(Zn,Al) phase with fullerene-like Al cluster.

The new quaternary aluminide LiMgCuAl was synthesized from the elements in a sealed tantalum crucible. The crystal structure was studied by single crystal and confirmed by X-ray powder diffraction. LiMgCuAl {cI162, Im{\overline 3}, a = 13.

New quaternary carbide MgLiAlC as a disorder derivative of the family of hexagonal close-packed (hcp) structures and the effect of structure modification on the electrochemical behaviour of the electrode.

Magnesium alloys are the basis for the creation of light and ultra-light alloys. They have attracted attention as potential materials for the accumulation and storage of hydrogen, as well as electrode materials in metal-hydride and magnesium-ion batteries. The search for new metal hydrides has involved magnesium alloys with rare-earth transition metals and doped by p- or s-elements.