Exploring the physical origin of the electrocatalytic performance of an amorphous alloy catalyst <i>via</i> machine learning accelerated DFT study
Siyan Gao, Huijie Zhen, Bo Wen, Jiang Ma, Xi Zhang
Abstract
electrons mainly enhance the catalytic performance. We employed the SOAP-ML model to reveal the physical origin of the long durability as the dealloying of Ni, which is highly consistent with the experimental results. The above results all prove the high accuracy and reliability of the established SOAP-ML model and provide an appealing idea for the future application of the amorphous alloy.
Topics & Concepts
Amorphous solidCatalysisAlloyMaterials scienceAmorphous metalDurabilityChemical engineeringNanotechnologyMetallurgyComposite materialChemistryCrystallographyOrganic chemistryEngineeringElectrocatalysts for Energy ConversionNanoporous metals and alloysNanomaterials for catalytic reactions