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http://earchive.tpu.ru/handle/11683/80514| Title: | Features of interaction of adsorbed Cr and O atoms with hydrogen on the magnesium hydride surface |
| Authors: | Terenteva, D. V. Kudiiarov, V. N. |
| metadata.dc.contributor.advisor: | Svyatkin, Leonid Aleksandrovich Bolsunovskaya, Ludmila Mihailovna |
| Keywords: | hydrogen desorption; magnesium hydride; hydrogen energy; transition metals; binding energy |
| Issue Date: | 2024 |
| Publisher: | Томский политехнический университет |
| Citation: | Terenteva, D. V. Features of interaction of adsorbed Cr and O atoms with hydrogen on the magnesium hydride surface / D. V. Terenteva, V. N. Kudiiarov ; Scientific Supervisor L. A. Svyatkin, English language advisor L. M. Bolsunovskaya ; Tomsk Polytechnic University // Перспективы развития фундаментальных наук — Томск : Изд-во ТПУ, 2024. — Т. 1 : Физика. — С. 389-391. |
| Abstract: | 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 |
| URI: | http://earchive.tpu.ru/handle/11683/80514 |
| Appears in Collections: | Материалы конференций |
Files in This Item:
| File | Description | Size | Format | |
|---|---|---|---|---|
| conference_tpu-2024-C21_V1_p389-391.pdf | 727,25 kB | Adobe PDF | View/Open |
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