Solving the structure of “single-atom” catalysts using machine learning – assisted XANES analysis
Shuting Xiang, Peipei Huang, Junying Li, Yang Liu, Nicholas Marcella, Prahlad K. Routh, Gonghu Li, Anatoly I. Frenkel
Abstract
Co XANES data analysis. As a result, we obtained quantitative structural information of the SAC nearest atomic environment, thereby extending the NN-XANES approach previously demonstrated for nanoparticles and size-selective clusters.
Topics & Concepts
XANESCatalysisAbsorption (acoustics)ChemistryPhotocatalysisAtom (system on chip)Materials scienceSpectral lineComputer scienceOrganic chemistryPhysicsComposite materialEmbedded systemAstronomyAdvanced Photocatalysis TechniquesCatalytic Processes in Materials ScienceMachine Learning in Materials Science