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June 4, 2026Nanoscale1 citations

Size-Dependent Reliability of Empirical Potentials for Optimizing Pt-Cu Bimetallic Clusters

Size-Dependent Reliability of Empirical Potentials for Global Optimization of Pt-Cu Bimetallic Clusters

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Authors

XWXiaomin WuXiamen University of TechnologyYLYousi LinXiamen University of TechnologyMHMiao HeXiamen University of Technology

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Overview

Randomized trial tests reliability of empirical potentials for global optimization in bimetallic clusters, indicating their varying effectiveness based on size.

Key Points

  • This research aims to evaluate the reliability of empirical potentials when applied to optimize Pt-Cu bimetallic clusters of varying sizes.
  • Evaluated empirical potentials across different cluster sizes and compositions.
  • Conducted density functional theory refinements to compare optimization outcomes.
  • Analyzed parameterization impacts on the transferability of empirical potentials.
  • Findings reveal that the transferability of empirical potentials decreases as cluster size increases.
  • Certain empirical potentials showed superior performance for optimizing smaller clusters compared to larger ones.
  • Parameterization significantly influenced the reliability of optimization outcomes across varying cluster compositions.

Cite This Study

Wu et al. (2026) studied this question.

synapsesocial.com/papers/6a211689d499ed480b16f768https://doi.org/10.1039/d6nr01123c
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