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Prospects of Spin Catalysis on Spin-Polarized Graphene Heterostructures
Автор | Avramov, P. V. | |
Автор | Sorokin, P. B. | |
Автор | Kuzubov, A. A. | |
Автор | Seiji, Saka | |
Автор | Shiro, Entani | |
Автор | Hiroshi, Naramoto | |
Дата внесения | 2016-11-11T08:53:58Z | |
Дата, когда ресурс стал доступен | 2016-11-11T08:53:58Z | |
Дата публикации | 2016 | |
Библиографическое описание | Avramov, P. V. Prospects of Spin Catalysis on Spin-Polarized Graphene Heterostructures [Текст] / P. V. Avramov, P. B. Sorokin, A. A. Kuzubov, Saka Seiji, Entani Shiro, Naramoto Hiroshi // Australian Journal of Chemistry. — 2016. — Т. 69 (№ 7). — С. 753-758 | |
ISSN | 00049425 | |
URI (для ссылок/цитирований) | https://elib.sfu-kras.ru/handle/2311/28037 | |
Аннотация | Extreme points on potential energy surfaces of Ni adatom on free-standing graphene and top:fcc and hcp:fcc graphene/ Ni(111) heterostructures in different spin states were studied using periodic boundary conditions density functional theory approach. It was found that the spin states of the substrates strongly influence the energy of the Ni adatom extreme points on potential energy surface by decreasing (top:fcc heterostructure) or increasing (hcp:fcc heterostructure) the total energies of Z1, Z1 , and Z2 Ni adatom coordinations on graphene. This phenomenon offers unique possibilities to control the potential energy surfaces of transition metal adatoms and promote surface chemical reactions using induced spin polarization of graphene substrates. | |
Ссылка на другой сайт | https://www.scopus.com/record/display.uri?eid=2-s2.0-84980344010&origin=resultslist&sort=plf-f&src=s&st1=Kuzubov+A&st2=&sid=6B69 | |
Название | Prospects of Spin Catalysis on Spin-Polarized Graphene Heterostructures | |
Тип | Journal Article | |
Тип | Journal Article Postprint | |
Страницы | 753-758 | |
ГРНТИ | 29.19.22 | |
Дата обновления | 2016-11-11T08:53:58Z | |
DOI | 10.1071/CH15174 | |
Институт | Институт цветных металлов и материаловедения | |
Подразделение | Кафедра физической и неорганической химии | |
Журнал | Australian Journal of Chemistry | |
Квартиль журнала в Scopus | Q2 | |
Квартиль журнала в Web of Science | Q3 |