Transparent yttrium hydride thin films prepared by reactive sputtering

Metal hydrides have earlier been suggested for utilization in solar cells. With this as a motivation we have prepared thin films of yttrium hydride by reactive magnetron sputter deposition. The resulting films are metallic for low partial pressure of hydrogen during the deposition, and black or yellow-transparent for higher partial pressure of hydrogen. Both metallic and semiconducting transparent YHx films have been prepared directly in-situ without the need of capping layers and post-deposition hydrogenation. Optically the films are similar to what is found for YHx films prepared by other techniques, but the crystal structure of the transparent films differ from the well-known YH3 phase, as they have an fcc lattice instead of hcp

Dynamics of porous and amorphous magnesium borohydride to understand solid state Mg-ion-conductors

Rechargeable solid-state magnesium batteries are considered for high energy density storage and usage in mobile applications as well as to store energy from intermittent energy sources, triggering intense research for suitable electrode and electrolyte materials. Recently, magnesium borohydride, Mg(BH$_{4}$)$_{2}$, was found to be an effective precursor for solid-state Mg-ion conductors. During the mechanochemical synthesis of these Mg-ion conductors, amorphous Mg(BH$_{4}$)$_{2}$ is typically formed and it was postulated that this amorphous phase promotes the conductivity. Here, electrochemical impedance spectroscopy of as-received γ-Mg(BH$_{4}$)$_{2}$ and ball milled, amorphous Mg(BH$_{4}$)$_{2}$ confirmed that the conductivity of the latter is ~2 orders of magnitude higher than in as-received γ-Mg(BH$_{4}$)$_{2}$ at 353 K. Pair distribution function (PDF) analysis of the local structure shows striking similarities up to a length scale of 5.1 Å, suggesting similar conduction pathways in both the crystalline and amorphous sample. Up to 12.27 Å the PDF indicates that a 3D net of interpenetrating channels might still be present in the amorphous phase although less ordered compared to the as-received γ-phase. However, quasi elastic neutron scattering experiments (QENS) were used to study the rotational mobility of the [BH$_{4}$] units, revealing a much larger fraction of activated [BH$_{4}$] rotations in amorphous Mg(BH$_{4}$)$_{2}$. These findings suggest that the conduction process in amorphous Mg(BH$_{4}$)$_{2}$ is supported by stronger rotational mobility, which is proposed to be the so-called “paddle-wheel” mechanism

Complex hydrides for energy storage

In the past decades, complex hydrides and complex hydrides-based materials have been thoroughly investigated as materials for energy storage, owing to their very high gravimetric and volumetric hydrogen capacities and interesting cation and hydrogen diffusion properties. Concerning hydrogen storage, the main limitations of this class of materials are the high working temperatures and pressures, the low hydrogen absorption and desorption rates and the poor cyclability. In the past years, research in this field has been focused on understanding the hydrogen release and uptake mechanism of the pristine and catalyzed materials and on the characterization of the thermodynamic aspects, in order to rationally choose the composition and the stoichiometry of the systems in terms of hydrogen active phases and catalysts/destabilizing agents. Moreover, new materials have been discovered and characterized in an attempt to find systems with properties suitable for practical on-board and stationary applications. A significant part of this rich and productive activity has been performed by the research groups led by the Experts of the International Energy Agreement Task 32, often in collaborative research projects. The most recent findings of these joint activities and other noteworthy recent results in the field are reported in this paper

Metal Hydrides and Related Materials - Energy Carriers for Novel Hydrogen and Electrochemical Storage

The seventh edition of the International Renewable and Sustainable Energy Conference (IRSEC) was held in Agadir (Sofitel Royal Bay, November 27–30, Morocco) under the Program Chair of Prof. Ahmed Ennaoui (IRESEN). IRSEC, as one of the biggest conferences in north Africa, aims at creating an international forum to facilitate discussions and exchanges in all aspects of renewable and sustainable energy. This Viewpoint will summarize the scientific presentations and stimulated discussions during the Special Session (November 28–29) on Metal Hydrides’ Energy covering topics of metal hydrides and energy related issues for innovative processes and technologies, with a focus on magnesium-based hydrides, intermetallic hydrides, complex and melt hydrides, porous materials, and thin films

Electronic Structure of the Complex Hydride NaAlH4

Density functional calculations of the electronic structure of the complex hydride NaAlH4 and the reference systems NaH and AlH3 are reported. We find a substantially ionic electronic structure for NaAlH4, which emphasizes the importance of solid state effects in this material. The relaxed hydrogen positions in NaAlH4 are in good agreement with recent experiment. The electronic structure of AlH3 is also ionic. Implications for the binding of complex hydrides are discussed.Comment: 4 pages, 5 figure

Pseudo-ternary LiBH4-LiCl-P2S5 system as structurally disordered bulk electrolyte for all-solid-state lithium batteries

The properties of the mixed system LiBH4 LiCl P2S5 are studied with respect to all-solid-state batteries. The studied material undergoes an amorphization upon heating above 601C, accompanied with increased Li+ conductivity beneficial for battery electrolyte applications. The measured ionic conductivity is 10-3 Scm-1 at room temperature with an activation energy of 0.40(2) eV after amorphization. Structural analysis and characterization of the material suggest that BH4 groups and PS4 may belong to the same molecular structure, where Cl ions interplay to accommodate the structural unit. Thanks to its conductivity, ductility and electrochemical stability (up to 5 V, Au vs. Li+/Li), this new electrolyte is successfully tested in battery cells operated with a cathode material (layered TiS2, theo. capacity 239 mAh g-1) and Li anode resulting in 93% capacity retention (10 cycles) and notable cycling stability under the current density 12 mA g-1 (0.05C-rate) at 501C. Further advanced characterisation by means of operando synchrotron X-ray diffraction in transmission mode contributes explicitly to a better understanding of the (de)lithiation processes of solid-state battery electrodes operated at moderate temperatures

Pseudo-ternary LiBH4_{4}–LiCl–P2_{2}S5_{5} system as structurally disordered bulk electrolyte for all-solid-state lithium batteries

The properties of the mixed system LiBH$_{4}$–LiCl–P$_{2}$S$_{5}$ are studied with respect to all-solid-state batteries. The studied material undergoes an amorphization upon heating above 60 °C, accompanied with increased Li$^{+}$ conductivity beneficial for battery electrolyte applications. The measured ionic conductivity is ∼10$^{-3}$ S cm$^{-1}$ at room temperature with an activation energy of 0.40(2) eV after amorphization. Structural analysis and characterization of the material suggest that BH$_{4}$ groups and PS4 may belong to the same molecular structure, where Cl ions interplay to accommodate the structural unit. Thanks to its conductivity, ductility and electrochemical stability (up to 5 V, Au vs. Li$^{+}$/Li), this new electrolyte is successfully tested in battery cells operated with a cathode material (layered TiS$_{2}$, theo. capacity 239 mA h g$^{-1}$) and Li anode resulting in 93% capacity retention (10 cycles) and notable cycling stability under the current density ∼12 mA g$^{-1}$ (0.05C-rate) at 50 °C. Further advanced characterisation by means of operando synchrotron X-ray diffraction in transmission mode contributes explicitly to a better understanding of the (de)lithiation processes of solid-state battery electrodes operated at moderate temperatures