ArticleChemphyschem : a European journal of chemical physics and physical chemistry2022
Exploring AuRh Nanoalloys: A Computational Perspective on the Formation and Physical Properties.
Article in Chemphyschem : a European journal of chemical physics and physical chemistry, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 5 papers.
What it found
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Who cites it
5 citing papers in PubMed.
- Strong light-matter interactions in hybrid polaritonic systems.Chemical communications (Cambridge, England) · 2026Review
- Gold Decoration To Improve Rh-Nanoalloys for CO-Adsorption.The journal of physical chemistry. C, Nanomaterials and interfaces · 2025Article
- Complete miscibility of immiscible elements at the nanometre scale.Nature nanotechnology · 2024Article
- Recent Developments in Plasmonic Alloy Nanoparticles: Synthesis, Modelling, Properties and Applications.Chemphyschem : a European journal of chemical physics and physical chemistry · 2022Review
- Exploring AuRh Nanoalloys: A Computational Perspective on the Formation and Physical Properties.Chemphyschem : a European journal of chemical physics and physical chemistry · 2022Article
Corrections and comments
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Authors and funding
5 authors.
Funding
Abstract
We studied the formation of AuRh nanoalloys (between 20-150 atoms) in the gas phase by means of Molecular Dynamics (MD) calculations, exploring three possible formation processes: one-by-one growth, coalescence, and nanodroplets annealing. As a general trend, we recover a predominance of Rh@Au core-shell ordering over other chemical configurations. We identify new structural motifs with enhanced thermal stabilities. The physical features of those selected systems were studied at the Density Functional Theory (DFT) level, revealing profound correlations between the nanoalloys morphology and properties. Surprisingly, the arrangement of the inner Rh core seems to play a dominant role on nanoclusters' physical features like the HOMO-LUMO gap and magnetic moment. Strong charge separations are recovered within the nanoalloys suggesting the existence of charge-transfer transitions.
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Registered trials
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