The cohesive energy of Au is higher than Cu, but still putative DFT global minimizations have been reported in the Cu-core and Au-shell. Are we allowed to explain this according to strain relief effects?
I suggest you to have a look on this paper, because the strain effects of AuCu were explained in detail. I hope this will help you...
Stabilization and compressive strain effect of AuCu core on Pt shell for
oxygen reduction reaction
DOI: 10.1039/c2ee22172a
DFT, Electrochemistry
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