Features of interaction of adsorbed Cr and O atoms with hydrogen on the magnesium hydride surface
| Parent link: | Перспективы развития фундаментальных наук=Prospects of Fundamental Sciences Development: сборник научных трудов XXI Международной конференции студентов, аспирантов и молодых ученых, г. Томск, 23-26 апреля 2024 г./ Национальный исследовательский Томский политехнический университет ; под ред. И. А. Курзиной [и др.].— .— Томск: Изд-во ТПУ Т. 1 : Физика.— 2024.— С. 389-391 |
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| Resumo: | Заглавие с экрана In this paper, the first-principles study of the structural stability of the MgH2, MgH2–O, MgH2–Cr, MgH2–CrO systems was carried out to identify the features of influence of adsorbed chromium and oxygen atoms on the hydrogen binding energy with the magnesium hydride surface. It was revealed that the presence of oxygen prevents chromium from forming large clusters on the hydride surface. Chromium and oxygen atoms adsorbed on the surface of magnesium hydride weaken the Mg-H bonds potentially leading to the release of hydrogen at lower temperatures compared to pure MgH2 Текстовый файл |
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2024
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| Acesso em linha: | http://earchive.tpu.ru/handle/11683/80514 |
| Formato: | Recurso Eletrônico Capítulo de Livro |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=674953 |