Surface Intermediates in the Catalytic Reaction of NO + H2 on Rh Studied by Method of Interacting Bonds Calculations Научная публикация
| Журнал |
Catalysis Letters
ISSN: 1011-372X , E-ISSN: 1572-879X |
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| Вых. Данные | Год: 1997, Том: 48, Номер: 1-2, Страницы: 191-198 Страниц : 8 DOI: 10.1023/A:1019091423964 | ||
| Ключевые слова | NO hydrogenation, Oscillations, Rhodium, Semi-empirical calculations, Surface species | ||
| Авторы |
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| Организации |
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Информация о финансировании (2)
| 1 | Российский фонд фундаментальных исследований | 96-03-33211 |
| 2 | International Association for the Promotion of Co-operation with Scientists from the New Independent States of the Former Soviet Union | 93-0964 |
Реферат:
The semi-empirical method of interacting bonds was used to clarify the mechanism of oscillatory behavior of the catalytic system (NO+H2)/Rh. Various rhodium planes and surface defect regions were characterized by the strength of the nitrogen bond to the surface, the stability of the adsorbed NHn species (n=0, 1, 2, 3), and the reactivity of NHn species towards hydrogen. Calculations admit the earlier suggested reaction mechanism, which attributes the surface wave propagation to the intermediate formation of NHa species. The activity of the rhodium surface in oscillations is expected to increase in a row of planes: (100)<(111)<(335). The activity of Rh(335) single crystal in the reaction rate oscillations is probably governed by the presence (in contrast to ideal terraces) of gradient and broad range of the reaction intermediate properties.
Библиографическая ссылка:
Cholach A.R.
, Bulgakov N.N.
Surface Intermediates in the Catalytic Reaction of NO + H2 on Rh Studied by Method of Interacting Bonds Calculations
Catalysis Letters. 1997. V.48. N1-2. P.191-198. DOI: 10.1023/A:1019091423964 WOS Scopus РИНЦ CAPlusCA OpenAlex
Surface Intermediates in the Catalytic Reaction of NO + H2 on Rh Studied by Method of Interacting Bonds Calculations
Catalysis Letters. 1997. V.48. N1-2. P.191-198. DOI: 10.1023/A:1019091423964 WOS Scopus РИНЦ CAPlusCA OpenAlex
Даты:
| Поступила в редакцию: | 24 окт. 1996 г. |
| Принята к публикации: | 2 сент. 1997 г. |
| Опубликована в печати: | 1 окт. 1997 г. |
Идентификаторы БД:
| Web of science: | WOS:000071291600008 |
| Scopus: | 2-s2.0-0013195382 |
| РИНЦ: | 13274639 |
| Chemical Abstracts: | 1998:48945 |
| Chemical Abstracts (print): | 128:80392 |
| OpenAlex: | W2152370631 |