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Exploring the Dual-Phase Configuration of Multicomponent Alloys in the Ti21Zr21VxFeyNiz (x plus y plus z=58 at %) System for Room Temperature Hydrogen Storage

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Autor(es):
Vicente, Igor S. ; Andrade, Gaspar ; Silva, Bruno Hessel ; Ponsoni, Jessica Bruna ; Dias, Jeferson Almeida ; Zepon, Guilherme ; Strozi, Renato Belli ; Sartori, Sabrina ; Floriano, Ricardo
Número total de Autores: 9
Tipo de documento: Artigo Científico
Fonte: ENERGY & FUELS; v. 39, n. 33, p. 15-pg., 2025-08-07.
Resumo

This study investigates the dual-phase configuration of multicomponent alloys (MCAs) within the Ti21Zr21V x Fe y Ni z (x + y + z = 58 at %) system for hydrogen storage. The design strategy involved the use of the Calculation of Phase Diagrams (CALPHAD) method, which obtained four dual-phase alloys with varying proportions of C14 Laves and body-centered cubic (BCC) phases. All alloys exhibited fast hydrogen absorption kinetics, reaching maximum capacity within 5 min, and demonstrated good hydrogen storage capacity at room temperature. Ti21Zr21Fe41Ni17 (V1), with the lower BCC content (8.2 wt %), absorbed the lowest amount of hydrogen (1.2 wt %), whereas Ti21Zr21V14Fe4.3Ni39.7 (V4) absorbed up to 1.7 wt %. When analyzing the thermodynamics of the alloys, V1 exhibited a superior reversible hydrogen capacity of 0.91 wt % when compared to V4, which retained 0.56 wt %. This behavior is attributed to the thermodynamic stability of the C14 Laves phase, which predominantly governs the absorption characteristics at room temperature, as confirmed by pressure-composition-temperature (PCT) simulations, and to hydrogen retention within the BCC structure. (AU)

Processo FAPESP: 23/09126-9 - Design, Síntese e Caracterização das Propriedades de Armazenamento de Hidrogênio em Ligas Multicomponentes do Sistema TiZrNbCrNiCo e TiZrVFeNi
Beneficiário:Igor Spegiorin Vicente
Modalidade de apoio: Bolsas no Brasil - Mestrado
Processo FAPESP: 22/03024-7 - Estrutura, processamento e propriedade de ligas multicomponentes avançadas para as aplicações biomédicas e armazenagem de energia
Beneficiário:Ricardo Floriano
Modalidade de apoio: Auxílio à Pesquisa - Projeto Inicial