Fingerprint Analysis of X-Ray Absorption Spectra of Catalysts: From Linear Combination Fit to Machine-Learning Trained on Multielement Experimental Library
X-ray absorption near edge structure (XANES) spectroscopy is a powerful method to probe the oxidation state and local structure of metals in catalytic materials. However, it suffers from the lack of unbiased data analysis protocols. Machine learning (ML) overcomes human-related factors by uncovering relevant spectrum-structure relationships and subsequent cross-validation analysis.... Show more
Fingerprint Analysis of X-Ray Absorption Spectra of Catalysts: From Linear Combination Fit to Machine-Learning Trained on Multielement Experimental Library