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Synthesis of Bimetallic Pt/Sn-based Nanoparticles in Ionic Liquids
Published on: August 23, 2018
Structures of Au/Pt bimetallic clusters: homogeneous or segregated?
Fang Wang1, Peng Liu, Dongju Zhang
1School of Chemistry and Chemical Engineering, Shandong University, Jinan 250100, People's Republic of China
Journal of Molecular Modeling
|July 28, 2010
Summary
The study investigates gold and platinum alloying at the nanoscale. Results show platinum forms a core, and gold forms a shell in stable bimetallic clusters, challenging previous assumptions.
Area of Science:
- Nanomaterials Science
- Computational Chemistry
- Surface Science
Background:
- The alloying behavior of gold (Au) and platinum (Pt) at the nanoscale remains a subject of scientific debate.
- Understanding bimetallic cluster formation is crucial for designing novel nanomaterials with tailored properties.
Purpose of the Study:
- To investigate the structural stability and geometric preferences of small gold-platinum (Au/Pt) bimetallic clusters.
- To determine the preferred atomic arrangement in Au/Pt clusters at the nanoscale.
Main Methods:
- Density functional theory (DFT) calculations were employed.
- Simulations were performed on various small Au/Pt bimetallic clusters with varying compositions (m + n = 4-6, 13).
Main Results:
- The most stable geometries consistently show platinum atoms forming an inner core.
- Gold atoms preferentially arrange on the outer shell, surrounding the platinum core.
- Evenly mixed or other configurations were found to be structurally unstable.
Conclusions:
- A distinct core-shell structure (Pt core, Au shell) is favored for stable Au/Pt bimetallic clusters at the nanoscale.
- This structural preference is attributed to differences in electronic properties and bonding characteristics (Pt-Pt, Au-Pt, Au-Au).
- The findings are expected to be applicable to larger Au/Pt bimetallic systems.
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