Pd Single-Atom Sites on the Surface of PdAu Nanoparticles: A DFT-Based Topological Search for Suitable Compositions

Structure of model bimetallic PdAu nanoparticles is analyzed aiming to find Pd:Au ratios optimal for existence of Pd1 single-atom surface sites inside outer Au atomic shell. The analysis is performed using density-functional theory (DFT) calculations and topological approach based on DFT-parameteriz...

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Detalles Bibliográficos
Autores principales: Mamatkulov, Mikhail, Yudanov, Ilya V., Bukhtiyarov, Andrey V., Neyman, Konstantin M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7828025/
https://www.ncbi.nlm.nih.gov/pubmed/33430403
http://dx.doi.org/10.3390/nano11010122

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7828025/
https://www.ncbi.nlm.nih.gov/pubmed/33430403
http://dx.doi.org/10.3390/nano11010122

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