Stabilization of Au at Edges of Bimetallic PdAu Nanocrystallites Научная публикация
| Журнал |
PCCP: Physical Chemistry Chemical Physics
ISSN: 1463-9076 , E-ISSN: 1463-9084 |
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| Вых. Данные | Год: 2010, Том: 12, Номер: 19, Страницы: 5094-5100 Страниц : 7 DOI: 10.1039/b927048e | ||||||
| Ключевые слова | METAL NANOPARTICLES; SURFACE SEGREGATION; SIZE-DEPENDENCE; CO ADSORPTION; PALLADIUM; CATALYSTS; GOLD; NANOCLUSTERS; CLUSTERS; SELECTIVITY | ||||||
| Авторы |
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| Организации |
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Информация о финансировании (5)
| 1 | Сибирское отделение Российской академии наук | 26 |
| 2 | European Commission | COST-MP0903 |
| 3 | Ministry of Economic Affairs and Digital Transformation | FIS2008-02238 |
| 4 | Ministry of Economic Affairs and Digital Transformation | HA2006-0102 |
| 5 | Agency for Administration of University and Research | 2008PIV00059 |
Реферат:
Density functional calculations were performed to study the distribution of Au atoms in bimetallic PdAu nanoparticles. A series of Pd(79-n)Au(n) clusters of truncated octahedral shape with different content of Au ranging from n = 1 to 60 was used to model such bimetallic nanosystems. Segregation of Au to the particle surface is found to be thermodynamically favorable. The most stable sites for Au substitution are located at the edges of the PdAu nanoclusters. The stabilization at the edges is rationalized by their higher flexibility for surface relaxation which minimizes the strain induced by larger atomic radius of Au as compared to Pd. This stabilization of Au at the edges indicates the possibility to synthesize PdAu particles with Pd atoms located mainly on the facets, and edges "decorated" by Au atoms. Such nanocrystallites are expected to exhibit peculiar catalytic properties and, being thermodynamically stable, should be prone to retaining their initial shape under catalytic conditions.
Библиографическая ссылка:
Yudanov I.V.
, Neyman K.M.
Stabilization of Au at Edges of Bimetallic PdAu Nanocrystallites
PCCP: Physical Chemistry Chemical Physics. 2010. V.12. N19. P.5094-5100. DOI: 10.1039/b927048e WOS Scopus РИНЦ CAPlusCA PMID OpenAlex
Stabilization of Au at Edges of Bimetallic PdAu Nanocrystallites
PCCP: Physical Chemistry Chemical Physics. 2010. V.12. N19. P.5094-5100. DOI: 10.1039/b927048e WOS Scopus РИНЦ CAPlusCA PMID OpenAlex
Даты:
| Поступила в редакцию: | 22 дек. 2009 г. |
| Принята к публикации: | 16 февр. 2010 г. |
| Опубликована online: | 26 мар. 2010 г. |
| Опубликована в печати: | 21 мая 2010 г. |
Идентификаторы БД:
| Web of science: | WOS:000277359300024 |
| Scopus: | 2-s2.0-77951970127 |
| РИНЦ: | 15315569 |
| Chemical Abstracts: | 2010:561682 |
| Chemical Abstracts (print): | 153:94105 |
| PMID (PubMed): | 20445912 |
| OpenAlex: | W1964368166 |