Ernst.2020

Martin Schnedlitz, Daniel Knez, Maximilian Lasserus, Ferdinand Hofer, Ricardo Fernández-Perea, Andreas W. Hauser, Marı́a Pilar de Lara-Castells, Wolfgang E. Ernst. Thermally Induced Diffusion and Restructuring of Iron Triade (Fe, Co, Ni) Nanoparticles Passivated by Several Layers of Gold. The Journal of Physical Chemistry C, 124(30):16680-16688, 2020.

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Abstract

{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.}

Keywords

[ Core-shell ] [ Nanoalloys ] [ Nanoparticles ]

BibTex Reference

@article{Ernst.2020,
   Author = {Schnedlitz, Martin and Knez, Daniel and Lasserus, Maximilian and Hofer, Ferdinand and Fernández-Perea, Ricardo and Hauser, Andreas W. and Lara-Castells, Marı́a Pilar de and Ernst, Wolfgang E.},
   Title = {{Thermally Induced Diffusion and Restructuring of Iron Triade (Fe, Co, Ni) Nanoparticles Passivated by Several Layers of Gold}},
   Journal = {The Journal of Physical Chemistry C},
   Volume = {124},
   Number = {30},
   Pages = {16680--16688},
   Year = {2020}
}

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