Fast identification of the stability of atomically dispersed bi-atom catalysts using a structure descriptor-based model
Danyang Li, Haoxiang Xu, Jiqin Zhu, Dapeng Cao
Abstract
A structure descriptor model is constructed to describe the stability of atomically dispersed bi-atom catalysts (BACs) and the model can serve as a universal equation to design highly stable BACs.
Topics & Concepts
CatalysisAtom (system on chip)Stability (learning theory)Identification (biology)Materials scienceCrystallographyBiological systemNanotechnologyChemical engineeringChemical physicsComputer sciencePhysicsChemistryEngineeringParallel computingMachine learningOrganic chemistryBiologyBotanyMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionMetal-Organic Frameworks: Synthesis and Applications