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<p>The effects of particle size and shape on the thermodynamic and electronic properties of silicon (Si) nanoparticles are systematically examined using the bond energy model and the tight-binding approximation. Analytical expressions are developed to describe the melting temperature, Debye temperature, band gap energy, valence-band maximum, and conduction-band minimum as explicit functions of the size and shape of nanoparticles. The obtained results have been applied to perform numerical calculations for Si semiconductor nanoparticles up to 30&#xa0;nm of size with various shapes. Our theoretical predictions are compared with those of experimental measurements showing good agreement. These findings highlight the crucial influence of size and shape on the thermophysical and electronic behavior of Si nanoparticles, offering valuable insights for their tailored design in advanced nanotechnological applications.</p>

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Size and shape effects on thermodynamic and electronic properties of Si nanoparticles

  • 期刊论文

  • 发表日期：

    2025年6月26日

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  • Nguyen Trong Tam,
  • Le Thu Lam,
  • Ho Khac Hieu

摘要

The effects of particle size and shape on the thermodynamic and electronic properties of silicon (Si) nanoparticles are systematically examined using the bond energy model and the tight-binding approximation. Analytical expressions are developed to describe the melting temperature, Debye temperature, band gap energy, valence-band maximum, and conduction-band minimum as explicit functions of the size and shape of nanoparticles. The obtained results have been applied to perform numerical calculations for Si semiconductor nanoparticles up to 30 nm of size with various shapes. Our theoretical predictions are compared with those of experimental measurements showing good agreement. These findings highlight the crucial influence of size and shape on the thermophysical and electronic behavior of Si nanoparticles, offering valuable insights for their tailored design in advanced nanotechnological applications.