An AI-Powered Methodology for Atomic-Scale Analysis of Heterogenized Correlated Single-Atom Catalysts.

ABSTRACT: Correlated single-atom catalysts offer transformative potential in catalysis, particularly in the field of electrocatalysis, with a focus on oxygen evolution reactions. Advanced characterization is critical to understanding their atomic-scale properties when techniques usually used in molecular science (Nuclear Magnetic Resonance (NMR), X-ray Diffraction (XRD), Infrared spectroscopy (IR), or Mass Spectrometry (MS)) cannot be applied after dispersing them on a carrier material. Here, a methodology that combines machine learning and mathematical optimization techniques to detect and quantify metal-metal interactions within heterobinuclear Au(III)-Pd(II) macrocyclic complexes on atomically resolved high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) images is

SUBMITTER: Aniceto-Ocana P 

PROVIDER: S-EPMC12285625 | biostudies-literature | 2025 Jul

REPOSITORIES: biostudies-literature