Efficient Machine-Learning-Aided Screening of Hydrogen Adsorption on Bimetallic Nanoclusters
Marc O. J. Jäger, Yashasvi S. Ranawat, Filippo Federici Canova, Eiaki V. Morooka, Adam S. Foster
Abstract
is correlated strongly with adsorption energies and could be a useful screening property accessible at the nanocluster level.
Topics & Concepts
NanoclustersBimetallic stripWorkflowAdsorptionChemistryIcosahedral symmetryNanotechnologyCatalysisChemical physicsComputer scienceMaterials sciencePhysical chemistryCrystallographyOrganic chemistryDatabaseMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionAdvanced Chemical Physics Studies