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Information × Registration Number 0222U005152, 0122U002456 , R & D reports Title Hydrogen storage and tuning electronic properties in metal hydrides popup.stage_title Head Hladyshevskyi Roman Ye., Доктор хімічних наук Registration Date 20-12-2022 Organization Ivan Franko National University of Lviv popup.description2   The aim of the work is the search for and synthesis of new materials, intermetallic compounds, able to absorb hydrogen efficiently or change the physical propertied qualitatively upon hydrogenation, what it determined by the electronic structure of phases, for the derivation of regularities for optimization of hydrogenation properties of intermetallilcs and modification of magnetic properties of intermetallics by hydrogenation. Within the project, the hydrides of the compounds with the Mn2AlB2 structure type (ST) (Pearson symbol (PS) oS10, space group (SG) Cmmm), Ho2Ni2InH4.3 and Dy2Ni2InH4.5, have been synthesized for the first time. Hydrogenation leads to a pronounced anisotropic expansion of the unit cell (ΔV/V = 14.3-14.7 %) which is primarily determined by the increase of the lattice parameter a (Δa/a = 13.4-13.7 %). The dominating role of individual structure fragments of AlB2 type has been determined in the hydrogenation process of the compounds belonging to the intergrowth structure series based on the AlB2 and CsCl types. The hydride of the phase YCo0.4Ni0.6 (ST MoB, PS tI16, SG I41/amd) has been synthesized, what is accompanied by the structure transition MoB → TlI. The impact of hydrogenation on the magnetic properties of the compounds including the atoms of magnetic 3d- (YCo0.4Ni0.6, ST MoB), 4f- (Nd2Ni2Sn, ST W2CoB2), and 5f- (U2Fe2-xNixSn, ST Mo2FeB2) elements. It has been shown that hydrogenation induces magnetic moments in the compounds of 3d-elements, weakens magnetic interactions and induces magnetic frustrations for 4f-elements, and is a fine tool to tune magnetism in the vicinity of quantum critical point for 5f-compounds demonstrating non-Fermi liquid behaviour. The results contribute to the controlled modification of the hydrogenation properties of intermetallics and fine tuning of magnetic properties of intermetallics by hydrogenation. Product Description popup.authors Miliyanchuk Khrystyna Yu. Tokaychuk Yaroslav O popup.nrat_date 2022-12-20 Close