Thermally Induced Diffusion and Restructuring of Iron Triade (Fe, Co, Ni) Nanoparticles Passivated by Several Layers of Gold

Martin Schnedlitz, Daniel Knez, Maximilian Lasserus, Ferdinand Hofer, Ricardo Fernández-Perea, Andreas W. Hauser*, Marlá Pilar De Lara-Castells*, Wolfgang E. Ernst*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review


The temperature-induced structural changes of Fe-, Co-, and Ni-Au core-shell nanoparticles with diameters around 5 nm are studied via atomically resolved transmission electron microscopy. We observe structural transitions from local toward global energy minima induced by elevated temperatures. The experimental observations are accompanied by a computational modeling of all core-shell particles with either centralized or decentralized core positions. The embedded atom model is employed and further supported by density functional theory calculations. We provide a detailed comparison of vacancy formation energies obtained for all materials involved in order to explain the variations in the restructuring processes which we observe in temperature-programmed TEM studies of the particles.

Original languageEnglish
Pages (from-to)16680-16688
Number of pages9
JournalThe Journal of Physical Chemistry C
Issue number30
Publication statusPublished - 30 Jul 2020

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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