Nanoscale Nickel–Chromium Powder as a Catalyst in Reducing the Temperature of Hydrogen Desorption from Magnesium Hydride
| Parent link: | Hydrogen.— .— Basel: MDPI AG Vol. 6, iss. 4.— 2025.— Article number 123, 24 p. |
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| Övriga upphovsmän: | , , , , , , , |
| Sammanfattning: | 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 |
| Språk: | engelska |
| Publicerad: |
2025
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| Ämnen: | |
| Länkar: | https://doi.org/10.3390/hydrogen6040123 |
| Materialtyp: | Elektronisk Bokavsnitt |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=684099 |
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| 200 | 1 | |a Nanoscale Nickel–Chromium Powder as a Catalyst in Reducing the Temperature of Hydrogen Desorption from Magnesium Hydride |f Alan Kenzhiyev, Viktor N. Kudiiarov, Alena A. Spiridonova [et al.] | |
| 203 | |a Текст |b визуальный |c электронный | ||
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| 300 | |a Title screen | ||
| 320 | |a References: 61 tit | ||
| 330 | |a 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 | ||
| 336 | |a Текстовый файл | ||
| 461 | 1 | |t Hydrogen |c Basel |n MDPI AG | |
| 463 | 1 | |t Vol. 6, iss. 4 |v Article number 123, 24 p. |d 2025 | |
| 610 | 1 | |a hydrogen storage material | |
| 610 | 1 | |a magnesium | |
| 610 | 1 | |a nickel | |
| 610 | 1 | |a chromium | |
| 610 | 1 | |a electrical explosion of wires | |
| 610 | 1 | |a ab initio | |
| 610 | 1 | |a DFT | |
| 610 | 1 | |a электронный ресурс | |
| 610 | 1 | |a труды учёных ТПУ | |
| 701 | 1 | |a Kenzhiyev |b A. |c physicist |c Engineer of Tomsk Polytechnic University |f 2001- |g Alan |9 88850 | |
| 701 | 1 | |a Kudiyarov |b V. N. |c physicist |c Associate Professor of Tomsk Polytechnic University, Candidate of Technical Sciences |f 1990- |g Victor Nikolaevich |9 15083 | |
| 701 | 1 | |a Spiridonova |b A. A. |g Alena Aleksandrovna | |
| 701 | 1 | |a Terentjeva |b D. V. |c physicist |c Engineer of Tomsk Polytechnic University |f 1999- |g Darjya Vitaljevna |9 88521 | |
| 701 | 1 | |a Vrublevsky |b D. B. |g Dmitry Borisovich | |
| 701 | 1 | |a Svyatkin |b L. A. |c physicist |c Associate Professor of Tomsk Polytechnic University, Candidate of Physical and Mathematical Sciences |f 1988- |g Leonid Aleksandrovich |9 17747 | |
| 701 | 1 | |a Nikitin |b D. S. |c specialist in the field of electric power engineering |c Associate Professor of Tomsk Polytechnic University, Candidate of Technical Sciences |f 1991- |g Dmitry Sergeevich |9 18802 | |
| 701 | 1 | |a Kashkarov |b E. B. |c Physicist |c Associate Professor, Researcher of Tomsk Polytechnic University, Candidate of Physical and Mathematical Sciences |f 1991- |g Egor Borisovich |9 18267 | |
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