Global minimum structures and electronic stability of Pt-doped silicon clusters PtSi n (n = 2 to 11) in neutral and anionic charge states

Key Points

• To systematically investigate the structures and electronic properties of Pt-doped silicon clusters.
• Used density functional theory to analyze clusters with sizes from 2 to 11.
• Explored both neutral and anionic charge states of the clusters.
• Identified low-energy candidate geometries for each cluster size.
• Identified stable geometries for PtSi clusters across the specified size range.
• Observed notable differences in stability between neutral and anionic states.
• Confirmed the electronic stability of the Pt-doped clusters compared to pure silicon.