On the correlation between phonon spectra and surface segregation features in Ag-Cu-Ni ternary nanoalloys

► We identify and correlate features in vibrational spectra to atomic scale compositional ordering in Ag-Cu-Ni alloy nanoclusters. ► The surface segregated ternary Ag-Cu-Ni alloy nanostructures were obtained from energy minimization using Monte Carlo simulation. ► Phonon spectra derived from molecular dynamics provide atomic scale chemical ordering, microstructure and dynamical properties. ► Such atomic scale characterization is of tremendous importance for catalysis applications dominated by surface or subsurface processes.