Interfaces, Confinement, Matériaux et Nanostructures - ICMN

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Mercredi 10 novembre 2021

10h20 Bibliothèque de l’ICMN

The investigation of melting behaviour of core-shell binary Ag-Ni and ternary Pd-Ag-Pt nanoalloys

Arslan, Haydar, Professor, Zonguldak Bulent Ecevit University, Department of Physics, Zonguldak, TURKEY

Summary : Nanostructures are of practical and scientific significance from the viewpoint of understanding fundamental electrical, magnetic, optical, catalytic, thermal and mechanical properties of nanoscale materials. In the case of applications in optics and catalysis, core-shell nanoparticles can be of great interest. In this study, we have investigated weakly miscible Ag-Ni core-shell nanoclusters for N=147,309, 561 atoms. The melting transitions analyzed by means of caloric curve and lindemann analysis. The structural changes have been observed for some compositions of Ag-Ni clusters before melting transition. The transition from mackay icosahedra to anti-mackay icosahedra have also been observed at external shell of clusters. Melting of the shell is characterised both by its disordering and by the enhanced mobility of Ag atoms, while Ni atoms are still keeping their icosahedral structure.
The structural analysis of 38-atom Pd-Ag-Pt ternary nanoalloys have been performed at Gupta and DFT level. The DFT excess energy analysis shows that Pd8Ag24Pt6 composition has the lowest excess energy value in common with excess energy analysis at Gupta Level.

Figure : (a) Caloric curve and Lindemann index and (b) Root mean square displacement of Ni55Ag254 nanoalloys as a function of temperatures.

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