Jump to main content
Jump to site search

Issue 42, 2015
Previous Article Next Article

Dynamics and stability of icosahedral Fe–Pt nanoparticles

Author affiliations


The structure, dynamics and stability of Fe–Pt nanoparticles have been investigated using DFT-based techniques: total energy calculations and molecular dynamics. The investigated systems included multi-shell and disordered nanoparticles of iron and platinum. The study concerns icosahedral particles with the magic number of atoms (55): iron-terminated Fe43Pt12, platinum-terminated Fe12Pt43, and disordered Fe27Pt28. Additionally, the Fe6Pt7 cluster has been investigated to probe the behaviour of extremely small Fe–Pt particles. Molecular dynamics simulations have been performed for a few temperatures between T = 150–1000 K. The calculations revealed high structural instability of the Fe-terminated nanoparticles and a strong stabilising effect of the Pt-termination in the shell-type icosahedral particles. The platinum termination prevented disordering of the particle even at T = 1000 K indicating very high melting temperatures of these Fe–Pt icosahedral structures. The analysis of evolution of the radial distribution function has shown a significant tendency of Pt atoms to move to the outside layer of the particles – even in the platinum deficient cases.

Graphical abstract: Dynamics and stability of icosahedral Fe–Pt nanoparticles

Back to tab navigation

Publication details

The article was received on 16 Jan 2015, accepted on 03 Mar 2015 and first published on 04 Mar 2015

Article type: Paper
DOI: 10.1039/C5CP00277J
Author version
Download author version (PDF)
Phys. Chem. Chem. Phys., 2015,17, 28096-28102

  •   Request permissions

    Dynamics and stability of icosahedral Fe–Pt nanoparticles

    P. T. Jochym, J. Łażewski, M. Sternik and P. Piekarz, Phys. Chem. Chem. Phys., 2015, 17, 28096
    DOI: 10.1039/C5CP00277J

Search articles by author