Machine learning powered multimodal spectroscopy for advanced battery material characterization
Scientific Achievement
Researchers developed a framework that fuses multi-edge, multi-element core-level spectroscopy with ab initio simulations and interpretable machine learning to infer local environments and detect point defects in Li-(Ni,Mn,Co) (NMC) battery cathode materials.
Significance and Impact
This study enables point-defect detection, allowing for precise materials characterization. This facilitates optimization of lithium-ion battery cathodes and accelerating innovation in energy storage and other advanced material systems.
Research Details
- At CNM, the Carbon high-performance computing cluster was used for structural and spectra calculations, and machine learning.
About Argonne’s Center for Nanoscale Materials
The Center for Nanoscale Materials is one of the five DOE Nanoscale Science Research Centers, premier national user facilities for interdisciplinary research at the nanoscale supported by the DOE Office of Science. Together the NSRCs comprise a suite of complementary facilities that provide researchers with state-of-the-art capabilities to fabricate, process, characterize and model nanoscale materials, and constitute the largest infrastructure investment of the National Nanotechnology Initiative. The NSRCs are located at DOE’s Argonne, Brookhaven, Lawrence Berkeley, Oak Ridge, Sandia and Los Alamos National Laboratories. For more information about the DOE NSRCs, please visit https://science.osti.gov/User-Facilities/User-Facilities-at-a-Glance.
Argonne National Laboratory seeks solutions to pressing national problems in science and technology by conducting leading-edge basic and applied research in virtually every scientific discipline. Argonne is managed by UChicago Argonne, LLC for the U.S. Department of Energy’s Office of Science.
The U.S. Department of Energy’s Office of Science is the single largest supporter of basic research in the physical sciences in the United States and is working to address some of the most pressing challenges of our time. For more information, visit https://energy.gov/science.