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.

TbNdZnNi (x = 0.5, y = 4.83): a new intermetallic with a maximum disordered structure and its hydrogen storage properties.

The ternary TbNdZnNi (x = 0.5, y = 4.83) disordered phase belongs to the structural family based on the rhombohedral ThZn structure type.

Synthesis and Structural Studies of New Selenium Derivatives Based on Covalent Functionalization of MWCNTs.

Modifying the surface of nanomaterials, such as carbon nanotubes, by introducing heteroatoms or larger functional groups into the structure causes a change in chemical properties-manifested in the increase in reactivity as well as a change in conductivity. This paper presents the new selenium derivatives obtained by a covalent functionalization of brominated multi-walled carbon nanotubes (MWCNTs). The synthesis was carried out in mild conditions (3 days at room temperature), and was additionally assisted with ultrasound.

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.

Searching for better X-ray and γ-ray photodetectors: structure-composition properties of the TlPbBr I quaternary system.

Developing X-ray and γ-ray detectors with stable operation at ambient temperature and high energy resolution is an open challenge. Here, we present an approach to search for new detector materials, combining binary photodetector compounds. More specifically, we explore quaternary TlPbBr I compositions, relying on materials synergy between TlBr, TlI, and PbI photodetectors.

Synthesis, crystal structure and Hirshfeld surface analysis of 5-cyclo-propyl--(2-hy-droxy-eth-yl)-1-(4-methyl-phen-yl)-1-1,2,3-triazole-4-carboxamide.

The title compound, CHNO, was obtained a two-step synthesis (Dimroth reaction and amidation) for anti-cancer activity screening and was selected from a 1-1,2,3-triazole-4-carboxamide library. The cyclo-propyl ring is oriented almost perpendicular to the benzene ring [dihedral angle = 87.9 (1)°], while the dihedral angle between the mean plane of the cyclo-propyl ring and that of the triazole ring is 55.

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).

A Facile and Efficient Bromination of Multi-Walled Carbon Nanotubes.

The bromination of multi-walled carbon nanotubes (MWCNT) was performed with vapor bromine in a closed vessel, and they were subjected to intensive stirring with a magnetic stirrer for up to 14 days. The efficiency of bromination was compared depending upon duration. The structure and surface of the crude and purified products were characterized by detailed physicochemical analyses, such as SEM/EDS, TEM, XRD, TGA, Raman, and XPS spectroscopies.

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.

Synthesis, crystal structure and Hirshfeld surface analysis of -(4-chloro-phen-yl)-5-cyclo-propyl-1-(4-meth-oxy-phen-yl)-1-1,2,3-triazole-4-carboxamide.

The title compound, CHClNO, was obtained a two-step synthesis involving the enol-mediated click Dimroth reaction of 4-azido-anisole with methyl 3-cyclo-propyl-3-oxo-propano-ate leading to the 5-cyclo-propyl-1-(4-meth-oxy-phen-yl)-11,2,3-triazole-4-carb-oxy-lic acid and subsequent acid amidation with 4-chloro-aniline by 1,1'-carbonyl-diimidazole (CDI). It crystallizes in space group 2/, with one mol-ecule in the asymmetric unit. In the extended structure, two mol-ecules arranged in a near coplanar fashion relative to the triazole ring planes are inter-connected by N-H⋯N and C-H⋯N hydrogen bonds into a homodimer.

β-LiZn: A Low Symmetric Polar Intermetallic Compound.

The crystal structure of the high-temperature modification of the compound LiZn was determined using single-crystal X-ray diffraction data. It is the first representative of a new binary structure type with triclinic space group 1̅, where the parameters of the unit cell are = 8.0073(3)Å, = 11.

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.

LiBC: a new borocarbide based on graphene and heterographene networks.

Li-B-C alloys have attracted much interest because of their potential use in lithium-ion batteries and superconducting materials. The formation of the new compound LiBC [lithium boron tricarbide; own structure type, space group P-6m2, a = 2.5408 (3) Å and c = 7.

Li4Ge2B as a new derivative of the Mo2B5 and Li5Sn2 structure types.

Binary and multicomponent intermetallic compounds based on lithium and p-elements of Groups III-V of the Periodic Table are useful as modern electrode materials in lithium-ion batteries. However, the interactions between the components in the Li-Ge-B ternary system have not been reported. The structure of tetralithium digermanium boride, Li4Ge2B, exhibits a new structure type, in the noncentrosymmetric space group R3m, in which all the Li, Ge and B atoms occupy sites with 3m symmetry.

Grown from lithium flux, the ErCo5Si(3.17) silicide is a combination of disordered derivatives of the UCo5Si3 and Yb6Co30P19 structure types.

A ternary hexaerbium triacontacobalt enneakaidecasilicide, ErCo5Si(3.17), crystallizes as a combination of disordered variants of the hexagonal UCo5Si3 (P6₃/m) and Yb6Co30P19 (P6) structure types and is closely related to the Sc6Co30Si19 and Ce6Rh30Si19 types. The Er, Co and three of the Si atoms occupy sites of m.