Platinum-based alloy catalyst materials and computational methods relating thereto
US12206115B2 · kind B2 · utility
Assignee
Inventors
Key dates
| Filing date | Oct 7, 2021 |
| Grant date | Jan 21, 2025 |
| Priority date | — |
| Expiry date | Nov 10, 2043 |
Classification
- Technology area (CPC Y)Emerging Cross-Sectional Technologies
- CPC primaryY02E60/50
- WIPO fieldElectrical machinery, apparatus, energy
- WIPO sectorElectrical engineering
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.
Source: USPTO / EPO open patent data. Objective bibliographic and citation counts.