1. In-situ neutron diffraction during reversible deuterium loading in Ti-rich and Mn-substituted Ti(Fe,Mn)0.90 alloys.
- Author
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Dematteis, Erika Michela, Barale, Jussara, Capurso, Giovanni, Deledda, Stefano, Sørby, Magnus H., Cuevas, Fermin, Latroche, Michel, and Baricco, Marcello
- Subjects
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DEUTERIUM , *NEUTRON diffraction , *ENERGY storage , *HYDROGEN as fuel , *ALLOYS , *ALUMINUM alloys - Abstract
Hydrogen is an efficient energy carrier that can be produced from renewable sources, enabling the transition towards CO 2 -free energy. Hydrogen can be stored for a long period in the solid-state, with suitable alloys. Ti-rich TiFe 0.90 compound exhibits a mild activation process for the first hydrogenation, and Ti(Fe,Mn) 0.90 substituted alloys can lead to the fine tuning of equilibrium pressure as a function of the final application. In this study, the crystal structure of TiFe (0.90- x) Mn x alloys (x = 0, 0.05 and 0.10) and their deuterides has been determined by in-situ neutron diffraction, while recording Pressure-Composition Isotherms at room temperature. The investigation aims at analysing the influence of Mn for Fe substitution in Ti-rich Ti(Fe,Mn) 0.90 alloys on structural properties during reversible deuterium loading, which is still unsolved and seldom explored. After activation, samples have been transferred into custom-made stainless-steel and aluminium alloy cells used for in-situ neutron diffraction experiments during deuterium loading at ILL and ISIS neutron facilities, respectively. The study enables remarkable understanding on hydrogen storage, basic structural knowledge, and support to the industrial application of TiFe-type alloys for integrated hydrogen tank in energy storage systems by determining the volume expansion during deuteration. Furthermore, the study demonstrates that different contents of Mn do not significantly change the volumetric expansion during phase transitions, affecting only the deuterium content for the γ phase and the cell evolution for the β phase. The study confirms that the deuterated structures of the γ phase upon absorption, β and α phase upon desorption, correspond to S.G. Cmmm , P 222 1 and Pm -3 m , respectively. [Display omitted] • Effect of Mn content on structural and hydrogenation properties in TiFe determined. • Mn-substituted TiFe deuterates structures determined by in situ neutron diffraction. • Mn does not significantly change volumetric expansion during phase transitions. • Mn substitution affects deuterium content for γ and cell evolution for β phase. • Mn substitution favours a stable deuterium occupancy over 2 a and 2 d sites. [ABSTRACT FROM AUTHOR]
- Published
- 2023
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