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.
Alloying processes in nanometre-size Ag@Au and Au@Ag core@shell particles are studied via high resolution Transmission Electron Microscopy (TEM) imaging.
While laser ablation in combination with electron impact mass spectroscopy yield numerous fragments and reaction products, helium-mediated mass analysis reveals the sublimation from bulk in units of (V2O5)2.
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