A theoretical prediction of the paradoxical surface free energy for FCC metallic nanosolids

Esam H. Abdul-Hafidh, Brahim Aissa

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

We report on the development of an efficient and simple method to calculate the surface free energy (surface tension) of a general-shaped metallic nanosolid. Both nanoparticles and nanostructures that account for the crystal structure and size were considered. The surface free energy of a face-centered cubic structure of a metallic nanoparticles was found to decrease as the size decreases, for a shape factor equal to 1.0 (i.e., spherical). However, when the shape factor exceeds this value, which includes disk-like, regular tetrahedral, regular hexahedral, regular octahedral, nanorod, and regular quadrangular structures, the behavior of the surface free energy was found to reverse, especially for small nanoparticles and then increases as the size decreases. Moreover, this behavior was systematically recorded for large nanoparticles when the mechanical distortion was appreciable. As a matter of fact, this model was also applied to the noble transition metals, including gold and silver nanoparticles. This work is a clear step forward establishing a systematic mechanism for controlling the mechanical properties of nanoscale particles by controlling the shape, size and structure.

Original languageEnglish
Pages (from-to)411-414
Number of pages4
JournalApplied Surface Science
Volume379
DOIs
Publication statusPublished - 30 Aug 2016

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Free energy
Nanoparticles
Precious metals
Nanorods
Silver
Gold
Transition metals
Surface tension
Nanostructures
Crystal structure
Mechanical properties

Keywords

  • Mechanical properties
  • Metals and alloys
  • Nanoparticles
  • Shape factor
  • Surface free energy

ASJC Scopus subject areas

  • Surfaces, Coatings and Films

Cite this

A theoretical prediction of the paradoxical surface free energy for FCC metallic nanosolids. / Abdul-Hafidh, Esam H.; Aissa, Brahim.

In: Applied Surface Science, Vol. 379, 30.08.2016, p. 411-414.

Research output: Contribution to journalArticle

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