Effects of the Nearest-Neighbor Environment of Copper Atoms on the XANES Spectra of Layered Chromium-Copper Disulfides
Научная публикация
| Общее |
Язык:
Английский,
Жанр:
Статья (Full article),
Статус опубликования:
Опубликована,
Оригинальность:
Переводная
|
| Журнал |
Journal of Structural Chemistry
ISSN: 0022-4766
, E-ISSN: 1573-8779
|
| Вых. Данные |
Год: 2015,
Том: 56,
Номер: 3,
Страницы: 596-600
Страниц
: 5
DOI:
10.1134/S0022476615030294
|
| Ключевые слова |
crystals, finite difference method, layered chromium-copper disulfides, multiple scattering method, XANES |
| Авторы |
Korotaev E.V.
1
,
Syrokvashin M.M.
1
,
Peregudova N.N.
1
,
Kanazhevskii V.V.
2,3
,
Mazalov L.N.
1,2
,
Sokolov V.V.
1
|
| Организации |
| 1 |
Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
|
| 2 |
Novosibirsk National Research State University, Russia
|
| 3 |
Boreskov Institute of Catalysis, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
|
|
In the present work, the K absorption spectra of copper, chromium, and vanadium of layered chromiumcopper disulfides CuCr1–x V x S2 (x = 0–0.4) are studied. Based on the comparison of the experimental and theoretical spectra obtained by simulation with the FDMNES program package, it is shown that copper atoms occupy tetrahedral sites, and chromium atoms and substitutional vanadium atoms occupy octahedral sites in the whole set of the samples studied.