Rational ensemble design of alloy catalysts for selective ammonia oxidation based on machine learning
Jiaqiang Yang, Zhaojie Wang, Zhang Liu, Qingbo Wang, Yanwei Wen, Aimin Zhang, Rong Chen, Bin Shan
Abstract
High-throughput computation and machine learning studies are conducted for the rational design of ensembles of alloy catalysts for selective catalytic oxidation of NH 3 (NH 3 -SCO).
Topics & Concepts
AmmoniaAlloyRational designCatalysisComputer scienceChemistryMaterials scienceMetallurgyNanotechnologyOrganic chemistryCatalytic Processes in Materials ScienceAmmonia Synthesis and Nitrogen ReductionMachine Learning in Materials Science