Surface segregation in the AgAuCuPdPt high entropy alloy: insights from molecular simulations
Chinmay Dahale, Sriram Goverapet Srinivasan, Shashank Mishra, Soumyadipta Maiti, Beena Rai
Abstract
Segregation reduces the chemical diversity but increases the number of catalytically active sites of the dominant element at the surface.
Topics & Concepts
AlloyMaterials scienceEntropy (arrow of time)Molecular dynamicsChemical physicsNanotechnologyMetallurgyThermodynamicsChemistryComputational chemistryPhysicsHigh Entropy Alloys StudiesHigh-Temperature Coating Behaviorsnanoparticles nucleation surface interactions