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J. Palomares-Báez

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Open access Jul 2026

A new family of hollow Au60 cages: topological diversity and connectivity-driven stability.

Hollow gold nanoclusters are nanoscale systems in which relativistic effects, coordination, topology, and thermal fluctuations compete to determine structural stability. Here, we combine density functional theory, descriptor-based machine-learning-assisted analysis, and finite-temperature molecular dynamics to investig...

E. E. Hernández-Vázquez, R. Aguilera-del-Toro, J. Nápoles-Duarte et al. · 0 citations

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