Large Destabilization of (TiVNb)-Based Hydrides via (Al, Mo) Addition: Insights from Experiments and Data-Driven Models

Pineda Romero, Nayely; Witman, Matthew; Harvey, Kim; Stavila, Vitalie; Nassif, Vivian; Elkaïm, Erik; Zlotea, Claudia

doi:10.1021/acsaem.3c02696

Cited by 3 publications

(2 citation statements)

References 68 publications

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“…Table 1. Physicochemical (lattice type, space group, lattice parameter, and bulk density) and thermodynamic properties (entropy and entropy of hydride formation) for (TiVNb)0.90Mn0.05Cr0.05 and related TiVNb-based compositions from references [26,34,35]. The alloy is chemically homogenous, and the overall chemical composition is very close to the nominal one, as proven by SEM-EDX (Figure 1 and Table 2).…”

Section: Resultsmentioning

confidence: 66%

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Effect of Cr/Mn Addition in TiVNb on Hydrogen Sorption Properties: Thermodynamics and Phase Transition Study

Bouzidi,

Elkaim,

Nassif

et al. 2024

Hydrogen

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High-entropy alloys (HEAs) are a promising class of materials that can grant remarkable functional performances for a large range of applications due to their highly tunable composition. Among these applications, recently, bcc HEAs capable of forming fcc hydrides have been proposed as high-capacity hydrogen storage materials with improved thermodynamics compared to classical metal hydrides. In this context, a single-phase bcc (TiVNb)0.90Cr0.05Mn0.05 HEA was prepared by arc melting to evaluate the effect of combined Cr/Mn addition in the ternary TiVNb. A thermodynamic destabilization of the fcc hydride phase was found in the HEA compared to the initial TiVNb. In situ neutron and synchrotron X-ray diffraction experiments put forward a fcc → bcc phase transition of the metallic subnetwork in the temperature range of 260–350 °C, whereas the H/D subnetwork underwent an order → disorder transition at 180 °C. The absorption/desorption cycling demonstrated very fast absorption kinetics at room temperature in less than 1 min with a remarkable total capacity (2.8 wt.%) without phase segregation. Therefore, the design strategy consisting of small additions of non-hydride-forming elements into refractory HEAs allows for materials with promising properties for solid-state hydrogen storage to be obtained.

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Section: Resultsmentioning

confidence: 66%

“…Physicochemical (lattice type, space group, lattice parameter, and bulk density) and thermodynamic properties (entropy and entropy of hydride formation) for (TiVNb) 0.90 Mn 0.05 Cr 0.05 and related TiVNb-based compositions from references[26,34,35].…”

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confidence: 99%