{
  "$type": "site.standard.document",
  "description": "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…",
  "path": "/patents/1341399",
  "publishedAt": "2023-04-13T00:00:00.000Z",
  "site": "at://did:plc:oql6ds5vnff4ugar6rruliwd/site.standard.publication/3mn3ohu7oxx5w",
  "tags": [
    "H01M4/921",
    "Robert Bosch GmbH"
  ],
  "textContent": "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.",
  "title": "PLATINUM-BASED ALLOY CATALYST MATERIALS AND COMPUTATIONAL METHODS RELATING THERETO"
}