Scholarlink

<p>This work provides a comprehensive theoretical study on the size and shape dependence of melting entropy and enthalpy for metallic nanoparticles by utilizing the bond energy framework. Numerical computations have been carried out for silver (Ag), copper (Cu), indium (In), and tin (Sn) nanoparticles up to 50&#xa0;nm with various shapes. Our theoretical predictions are validated by comparing with reported experimental data, molecular simulations, and previous theoretical calculations. Our findings reveal that both melting entropy and enthalpy rise sharply with size when the nanoparticle diameter is smaller than 10&#xa0;nm. Beyond this range, melting entropy and enthalpy tend to converge toward those of bulk material, highlighting the significant role of surface effects in the thermodynamic properties of metallic nanoparticles. The size presents a stronger influence than shape on nanoparticle melting enthalpy and entropy.</p>

错误：搜索内容不能为空，请输入英文关键词
错误：关键词超出字数限制，请精简
高级检索

Melting entropy and enthalpy of metallic nanoparticles: size and shape effects

  • 期刊论文

  • 发表日期：

    2025年7月21日

查看全文
  • Nguyen Van Phuoc,
  • Nguyen Trong Tam,
  • Ho Khac Hieu

摘要

This work provides a comprehensive theoretical study on the size and shape dependence of melting entropy and enthalpy for metallic nanoparticles by utilizing the bond energy framework. Numerical computations have been carried out for silver (Ag), copper (Cu), indium (In), and tin (Sn) nanoparticles up to 50 nm with various shapes. Our theoretical predictions are validated by comparing with reported experimental data, molecular simulations, and previous theoretical calculations. Our findings reveal that both melting entropy and enthalpy rise sharply with size when the nanoparticle diameter is smaller than 10 nm. Beyond this range, melting entropy and enthalpy tend to converge toward those of bulk material, highlighting the significant role of surface effects in the thermodynamic properties of metallic nanoparticles. The size presents a stronger influence than shape on nanoparticle melting enthalpy and entropy.