公开(公告)号：US12206115B2

公开(公告)日：2025-01-21

申请号：US17496089

申请日：2021-10-07

Applicant: Robert Bosch GmbH

Inventor： Soo Kim ,  Karim Gadelrab ,  Jonathan Mailoa ,  Matthias Hanauer ,  Ulrich Berner ,  Nathan Craig ,  Christina Johnston ,  Charles Tuffile

IPC: C22C5/04 ,  B01J35/70 ,  B82Y40/00 ,  C25B11/02 ,  C25B11/046 ,  C30B29/52 ,  G16C10/00 ,  G16C20/30 ,  H01M4/92

Abstract: A computational method for determining a location and an amount of a transition metal M in surface facets of a Pt—M alloy using a density functional theory includes receiving a particle size and a surface facet distribution of the Pt—M alloy and a total concentration of M in the Pt—M alloy; calculating a total number of M atoms in the Pt—M alloy based on the particle size and the surface facet distribution of the Pt—M alloy and the total concentration of M in the Pt—M alloy; and predicting a mixing energy between Pt and at least one of the total number of M atoms in a subsurface layer of each of the surface facets of the Pt—M alloy when Pt is mixed with the at least one of the total number of M atoms.