Platinum-based alloy catalyst materials and computational methods relating thereto

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United States of America Patent

PATENT NO 12206115
APP PUB NO 20230112040A1
SERIAL NO

17496089

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Abstract

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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.

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Patent Owner(s)

Patent OwnerAddress
ROBERT BOSCH GMBH70442 STUTTGART

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Inventor(s)

Inventor Name Address # of filed Patents Total Citations
Berner, Ulrich Stuttgart, DE 23 5
Craig, Nathan Santa Clara, US 44 44
Gadelrab, Karim Boston, US 25 5
Hanauer, Matthias Leonberg, DE 2 0
Johnston, Christina Mountain View, US 27 33
Kim, Soo Arlington, US 128 99
Mailoa, Jonathan Cambridge, US 64 63
Tuffile, Charles Swansea, US 48 16

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