2026-04-13T07:05:22Zhttps://recercat.cat/oai/request

oai:recercat.cat:2445/1657992025-12-04T20:56:07Zcom_2072_1057col_2072_478796col_2072_478917

00925njm 22002777a 4500 dc Olobardi, Sofia author Fortunelli, Alessandro author Stener, Mauro author Viñes Solana, Francesc author Vega Dominguez, Lorena author Neyman, Konstantin M. author 2020-06-16T10:35:10Z 2020-09-26T05:10:26Z 2019-09-26 2020-06-16T10:35:11Z A series of core@shell and layered ordered phases of AgPt bimetallic nanoparticles has been studied with Ag:Pt = 3:1 and 6:1 atomic compositions and sizes from 116 to 201 atoms. The elementary chemical order has been established by using a recent method (TOP), which assigns energy according to different topological degrees of freedom. The TOP lowest-energy structures, confirmed by density functional calculations, are then studied by time dependent density functional theory in order to calculate optical properties. The present study shows that for AgPt nanoparticles with core@shell structure the optical properties are sensitive to both the Pt concentration and system size. Spectral trends related to chemical order have also been identified. Nanopartícules Argent Teoria del funcional de densitat Nanoparticles Silver Density functionals Optical properties and chemical ordering of Ag-Pt nanoalloys: a computational study