Nanoscale Nickel–Chromium Powder as a Catalyst in Reducing the Temperature of Hydrogen Desorption from Magnesium Hydride; Hydrogen; Vol. 6, iss. 4

Nanoscale Nickel–Chromium Powder as a Catalyst in Reducing the Temperature of Hydrogen Desorption from Magnesium Hydride; Hydrogen; Vol. 6, iss. 4

Detalles Bibliográficos
Parent link:Hydrogen.— .— Basel: MDPI AG
Vol. 6, iss. 4.— 2025.— Article number 123, 24 p.
Outros autores: Kenzhiyev A. Alan, Kudiyarov V. N. Victor Nikolaevich, Spiridonova A. A. Alena Aleksandrovna, Terentjeva D. V. Darjya Vitaljevna, Vrublevsky D. B. Dmitry Borisovich, Svyatkin L. A. Leonid Aleksandrovich, Nikitin D. S. Dmitry Sergeevich, Kashkarov E. B. Egor Borisovich
Summary:Title screen
The composite material MgH2-EEWNi-Cr (20 wt. %) with a hydrogen content of 5.2 ± 0.1 wt.% is characterized by improved hydrogen interaction properties compared to the original MgH2. The dissociation of the material occurs in three temperature ranges (86–117, 152–162, and 281–351 °C), associated with a complex of effects consisting of changes in the specific surface area of the material, alterations in the crystal lattice during ball milling, and changes in the electronic structure in the presence of a Ni–Cr catalyst, based on first-principles calculations. The decrease in desorption activation energy (Ed = 65–96 ± 1 kJ/mol, ΔEd = 59–90 kJ/mol) is due to the catalytic effect of N–Cr, leading to a faster decomposition of the hydride phase. Based on the results of ab initio calculations, Ni–Cr on the MgH2 surface leads to a significant decrease in hydrogen binding energy (ΔEb = 60%) compared to pure magnesium hydride due to the formation of Ni–H and Cr–H covalent bonds, which reduces the degree of H–Mg ionic bonding. The results obtained allow us to expand our understanding of the mechanisms of hydrogen interaction with storage materials and the possibility of using these as mobile hydrogen storage and transportation materials
Текстовый файл
Idioma:inglés
Publicado: 2025
Subjects:
hydrogen storage material
magnesium
nickel
chromium
electrical explosion of wires
ab initio
DFT
электронный ресурс
труды учёных ТПУ
Acceso en liña:https://doi.org/10.3390/hydrogen6040123
Formato: Electrónico Capítulo de libro
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=684099

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