Theoretical and experimental research of hydrogen storage properties of Mg and Mg-Al hydrides; Journal of Alloys and Compounds; Vol. 938

Theoretical and experimental research of hydrogen storage properties of Mg and Mg-Al hydrides; Journal of Alloys and Compounds; Vol. 938

التفاصيل البيبلوغرافية
Parent link:Journal of Alloys and Compounds
Vol. 938.— 2022.— [168618, 12 p.]
مؤلف مشترك: Национальный исследовательский Томский политехнический университет Инженерная школа ядерных технологий Отделение экспериментальной физики
مؤلفون آخرون: Lyu Jinzhe, Elman R. R. Roman Romanovich, Svyatkin L. A. Leonid Aleksandrovich, Kudiyarov V. N. Victor Nikolaevich
الملخص:Title screen
In this work, we studied the effect of aluminum atoms addition on the properties of hydrogen accumulation and desorption in magnesium hydride. Using ab initio calculations and experimental methods, the role of alloying magnesium with aluminum was determined. The hydrogen content in the Mg and Mg–10 at%Al coatings was 1.8 wt% and 4.5 wt%, respectively. For the Mg–10 at%Al coating, the peak temperature of hydrogen desorption was about 425 °C, 17 °C lower than that for the Mg coating. The desorption rate for the Mg coating and Mg–10 at%Al coating was 3 Ч 10-14 mol(H2)/cm2 s and 31 Ч 10-14 mol(H2)/cm2 s, respectively. Compared with the Mg coating, the higher hydrogen content in the Mg–10 at%Al coating with the faster hydrogen desorption is related to the energetically more favorable Al-doped Mg system than the pure Mg system with H at the distance from Al at low hydrogen concentrations. The lower hydrogen desorption temperature of the Mg–10 at%Al coating is confirmed to be the consequence of the weakened Mgsingle bondH bond by the doped Al atom due to the higher electronegativity of the Al atom than that of the Mg atom. In addition, the aluminum binding energy decreases more significantly with the hydrogen concentration increase for hydrogen near Al atom than for hydrogen at a distance.
Режим доступа: по договору с организацией-держателем ресурса
اللغة:الإنجليزية
منشور في: 2022
الموضوعات:
электронный ресурс
труды учёных ТПУ
magnesium
aluminum
impurity
magnesium hydride
thin film
hydrogen
first-principle calculations
магний
алюминий
водород
тонкие пленки
الوصول للمادة أونلاين:https://doi.org/10.1016/j.jallcom.2022.168618
التنسيق: الكتروني فصل الكتاب
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=668813

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