General screening of surface alloys for catalysis
M. M. Montemore, Chukwudi F. Nwaokorie, Gbolade O. Kayode
Abstract
We develop a general, reusable model for predicting adsorption energies of many species on a wide array of alloy surfaces.
Topics & Concepts
CatalysisAdsorptionAlloySurface (topology)NanotechnologyMaterials scienceChemistryChemical engineeringPhysical chemistryMetallurgyOrganic chemistryEngineeringMathematicsGeometryCatalytic Processes in Materials ScienceMachine Learning in Materials ScienceElectrocatalysts for Energy Conversion