Stabilization of Au at Edges of Bimetallic PdAu Nanocrystallites Full article
| Journal |
PCCP: Physical Chemistry Chemical Physics
ISSN: 1463-9076 , E-ISSN: 1463-9084 |
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| Output data | Year: 2010, Volume: 12, Number: 19, Pages: 5094-5100 Pages count : 7 DOI: 10.1039/b927048e | ||||||
| Tags | METAL NANOPARTICLES; SURFACE SEGREGATION; SIZE-DEPENDENCE; CO ADSORPTION; PALLADIUM; CATALYSTS; GOLD; NANOCLUSTERS; CLUSTERS; SELECTIVITY | ||||||
| Authors |
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| Affiliations |
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Funding (5)
| 1 | Siberian Branch of the Russian Academy of Sciences | 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 |
Abstract:
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.
Cite:
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 OpenAlex ANCAN PMID
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 OpenAlex ANCAN PMID
Dates:
| Submitted: | Dec 22, 2009 |
| Accepted: | Feb 16, 2010 |
| Published online: | Mar 26, 2010 |
| Published print: | May 21, 2010 |
Identifiers:
| ≡ Web of science: | WOS:000277359300024 |
| ≡ Scopus: | 2-s2.0-77951970127 |
| ≡ Elibrary: | 15315569 |
| ≡ OpenAlex: | W1964368166 |
| ≡ Chemical Abstracts: | 2010:561682 |
| ≡ Chemical Abstracts (print): | 153:94105 |
| ≡ PMID: | 20445912 |