Efficient mapping of CO adsorption on Cu<sub>1−<i>x</i></sub>M<sub><i>x</i></sub> bimetallic alloys <i>via</i> machine learning
Mattia Salomone, Michele Re Fiorentin, Francesca Risplendi, Federico Raffone, Timo Sommer, Max García‐Melchor, Giancarlo Cicero
Abstract
A two-step machine learning model to predict CO binding energies on CuM(111)/(100) bimetallic surfaces and enhance the CO 2 RR selectivity towards C 2 products.
Topics & Concepts
Bimetallic stripAdsorptionSelectivityMaterials scienceCrystallographyChemistryPhysical chemistryMetallurgyCatalysisOrganic chemistryMetalMachine Learning in Materials ScienceCO2 Reduction Techniques and CatalystsCatalytic Processes in Materials Science