Garip, Ali KemalTaran, Songul2021-12-012021-12-0120200217-97921793-6578https://doi.org/10.1142/S0217979220500630https://hdl.handle.net/20.500.12684/10576Using Monte Carlo Basin-hopping algorithm within the Gupta potential, a systematic investigation has been performed for the best chemical ordering structures of 19-atom trimetallic PdnAg(17-n)Pt2 nanoclusters with double icosahedral geometry. The structures with the lowest energy at Gupta level are then re-optimized by DFT relaxations and the DFT relaxations confirmed the lowest energy structures obtained at the Gupta level indicating the double icosahedron structure is favorable for 19-atom PdnAg(17-n)Pt2 nanoclusters. It was observed that the caloric curves exhibit a smoother transition with structural isomerizations other than a sharp jump behavior.en10.1142/S0217979220500630info:eu-repo/semantics/closedAccessOptimizationDFTmeltingpalladiumplatinumsilverGlobal OptimizationNanoparticlesAuDissociationAdsorptionCuSimulationsStabilitiesNanoalloysCapacityArticle3482-s2.0-85083385334WOS:000526033800007Q3Q3