Machine learning assisted binary alloy catalyst design for the electroreduction of CO<sub>2</sub> to C<sub>2</sub> products
Zachary Gariepy, Guiyi Chen, Anni Xu, Zhuole Lu, Zhiwen Chen, Chandra Veer Singh
Abstract
CO 2 RR binary alloy catalyst design insight gained through density functional theory and machine learning with a focus on COCOH adsorption energy.
Topics & Concepts
AlloyCatalysisMaterials scienceBinary numberBinary alloyChemical engineeringMetallurgyChemistryEngineeringOrganic chemistryMathematicsArithmeticCO2 Reduction Techniques and CatalystsMachine Learning in Materials ScienceElectrocatalysts for Energy Conversion