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 |
|---|---|
| Hovedforfatter: | |
| Institution som forfatter: | |
| Andre forfattere: | , , |
| 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 |
| Sprog: | engelsk |
| Udgivet: |
2024
|
| Fag: | |
| Online adgang: | http://earchive.tpu.ru/handle/11683/80514 |
| Format: | Electronisk Book Chapter |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=674953 |
MARC
| LEADER | 00000naa2a2200000 4500 | ||
|---|---|---|---|
| 001 | 674953 | ||
| 005 | 20241007152155.0 | ||
| 090 | |a 674953 | ||
| 100 | |a 20240925d2024 k||y0rusy50 ca | ||
| 101 | 1 | |a eng | |
| 102 | |a RU | ||
| 135 | |a drcn ---uucaa | ||
| 200 | 1 | |a Features of interaction of adsorbed Cr and O atoms with hydrogen on the magnesium hydride surface |f D. V. Terenteva, V. N. Kudiiarov |g Scientific Supervisor L. A. Svyatkin, English language advisor L. M. Bolsunovskaya ; Tomsk Polytechnic University | |
| 300 | |a Заглавие с экрана | ||
| 320 | |a References : 4 names | ||
| 330 | |a 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 | ||
| 336 | |a Текстовый файл | ||
| 461 | 1 | |0 674010 |t Перспективы развития фундаментальных наук |l Prospects of Fundamental Sciences Development |o сборник научных трудов XXI Международной конференции студентов, аспирантов и молодых ученых, г. Томск, 23-26 апреля 2024 г. |9 674010 |c Томск |n Изд-во ТПУ |f Национальный исследовательский Томский политехнический университет ; под ред. И. А. Курзиной [и др.] | |
| 463 | 1 | |0 674235 |t Т. 1 : Физика |v С. 389-391 |d 2024 |9 674235 |p 1 файл (66,9 MB, 392 с.) |u conference_tpu-2024-C21_V1.pdf |l Vol. 1 : Physics | |
| 610 | 1 | |a труды учёных ТПУ | |
| 610 | 1 | |a электронный ресурс | |
| 610 | 1 | |a hydrogen desorption | |
| 610 | 1 | |a magnesium hydride | |
| 610 | 1 | |a hydrogen energy | |
| 610 | 1 | |a transition metals | |
| 610 | 1 | |a binding energy | |
| 700 | 1 | |a Terenteva |b D. V. | |
| 701 | |a Kudiiarov |b V. N. | ||
| 702 | 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 |4 727 | |
| 702 | 1 | |a Bolsunovskaya |b L. M. |c linguist |c Associate Professor of Tomsk Polytechnic University, Candidate of philological science |f 1966- |g Ludmila Mihailovna |4 727 | |
| 712 | 0 | 2 | |a Национальный исследовательский Томский политехнический университет |c (2009- ) |9 26305 |4 570 |
| 801 | 0 | |a RU |b 63413507 |c 202409025 |g RCR | |
| 856 | 4 | |z http://earchive.tpu.ru/handle/11683/80514 |u http://earchive.tpu.ru/handle/11683/80514 | |
| 942 | |c CF | ||