Surface Segregation Studies in Ternary Noble Metal Alloys: Comparing DFT and Machine Learning with Experimental Data

This study advances understanding of surface segregation and the utility of computational studies and highlights the need for further improvements in simulation accuracy.PMID:38517936 | DOI:10.1002/cphc.202400073

Source: Chemphyschem - March 22, 2024 Category: Chemistry Authors: Kirby Broderick Robert Burnely Andrew J Gellman John Robert Kitchin Source Type: research