Predictive autoencoder-transformer model of Cu oxidation state from EELS and XAS spectra
Open Access
- 16 September 2026
- journal article
- Published by Royal Society of Chemistry (RSC) in Digital Discovery
- Vol. 5 (9) , 3731-3739
Abstract
Autoencoder-transformer model applicable to both simulated and experimental XAS spectra is developed to predict the oxidation state of copper.Keywords
All Related Versions
Funding Information
- Basic Energy Sciences (DE-AC02-05CH11231, DE-SC0012704, DE-SC0001135)
- U.S. Department of Energy
- Office of Science
- Binghamton University
This publication has 35 references indexed in Scilit:
- Unlocking the Potential of Redox‐Active Copper Complexes in Thin Films via Proton‐Coupled Electron Transfer for Enhanced Supercapacitor PerformanceAdvanced Functional Materials, 2024
- CuO reduction induced formation of CuO/Cu2O hybrid oxidesChemical Physics Letters, 2013
- Electron Energy-Loss Spectroscopy in the Electron Microscope2011
- Stacked Convolutional Auto-Encoders for Hierarchical Feature Extraction2011
- Improved grid‐based algorithm for Bader charge allocationJournal of Computational Chemistry, 2007
- A fast and robust algorithm for Bader decomposition of charge densityComputational Materials Science, 2006
- The oxidation states of copper and iron in mineral sulfides, and the oxides formed on initial exposure of chalcopyrite and bornite to airGeochimica et Cosmochimica Acta, 2006
- Multiplet effects in X-ray spectroscopyCoordination Chemistry Reviews, 2005
- Quantification of ferrous/ferric ratios in minerals: new evaluation schemes of Fe L 23 electron energy-loss near-edge spectraPhysics and Chemistry of Minerals, 2002
- Electron Energy-Loss Spectroscopy in the Electron Microscope1996