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Files collecting database used in the POLYMETH project with metal hydrides information
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Role of the local structure on the hydrogen reaction pathway of high entropy alloys
Among several materials currently proposed for safe and efficient solid-state hydrogen storage, alloys and intermetallics are some of the most promising candidates due to high volumetric capacities an
DataCite Commons2025-07-09 更新100
B2C2xTherm461.outFirst-principles prediction of new stable 2D orthorhombic (o)-B2CN and o-B2C2 materials for hydrogen storage applications via lithium decoration.
We provide the dataset supporting our study on hydrogen storage in 2D B₂C₂ and B₂CN structures. This includes input and output files for structural optimizations, data on dynamical stability, mechanic
NIAID Data Ecosystem30
Chemical Pressure-Induced Anion Order–Disorder Transition in LnHO Enabled by Hydride Size Flexibility
While cation order–disorder transitions have been achieved in a wide range of materials and provide crucial effects in various physical and chemical properties, anion analogues are scarce. Here we hav
NIAID Data Ecosystem20
From the Laves Phase CaRh 2 to the Perovskite CaRhH 3 –in Situ Investigation of Hydrogenation Intermediates CaRh 2 H x
The hydrogenation properties of the cubic Laves phase CaRh2 and the formation of the perovskite CaRhH3 were studied by in situ thermal analysis (differential scanning calorimetry), sorption experiment
NIAID Data Ecosystem50
In-situ neutron diffraction during reversible deuterium loading in under-stoichiometric and Mn,Cu-substituted Ti(Fe,Mn,Cu)0.9 alloys
Hydrogen is an efficient energy carrier that can be produced from renewable sources and stored in alloys in solid-state for long period enabling the transition towards CO2-free energy.TiFe intermetall
DataCite Commons2022-11-23 更新30
