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April 18, 2026Physical Chemistry Chemical Physics

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

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Authors

JGJosé Manuel Guevara-VelaPRPeter L. Rodríguez‐KesslerAMAlvaro Muñoz‐Castro

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Overview

Investigates electronic stability and geometries of Pt-doped silicon clusters in different charge states, highlighting potential applications.

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.

Cite This Study

Guevara-Vela et al. (2026) studied this question.

synapsesocial.com/papers/69e321aa40886becb6540b5dhttps://doi.org/10.1039/d6cp00681g
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