Features of interaction of adsorbed Cr and O atoms with hydrogen on the magnesium hydride surface; Перспективы развития фундаментальных наук; Т. 1 : Физика

Features of interaction of adsorbed Cr and O atoms with hydrogen on the magnesium hydride surface; Перспективы развития фундаментальных наук; Т. 1 : Физика

Bibliographic Details
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
Main Author:	Terenteva D. V.
Corporate Author:	Томский политехнический университет (570)
Other Authors:	Kudiiarov V. N. (научный руководитель), Svyatkin L. A. Leonid Aleksandrovich, Bolsunovskaya L. M. Ludmila Mihailovna
Summary:	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
Language:	English
Published:	2024
Subjects:	труды учёных ТПУ электронный ресурс hydrogen desorption magnesium hydride hydrogen energy transition metals binding energy
Online Access:	http://earchive.tpu.ru/handle/11683/80514
Format:	Electronic Book Chapter
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=674953

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