METHOD FOR DESIGNING TERNARY CATALYST USING MACHINE LEARNING
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United States of America Patent
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Issued Date -
Sep 29, 2022
app pub date -
Nov 10, 2021
filing date -
Nov 10, 2021
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Abstract
Disclosed is a method of manufacturing a ternary catalyst for an oxygen reduction reaction. The method may include constructing a database including catalytic activity of oxygen reduction reaction (ORR) of PtFeCu nanoparticles using machine-learning-based neural network potential (NNP), determining thermodynamically stable PtFeCu nanoparticles through Monte Carlo calculation, and selecting a type of the PtFeCu nanoparticles by analyzing a structure of PtFeCu nanoparticles.
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