The article in Nano Energy investigates the electronic structure evolution in lithium-ion battery cathode materials during Li deintercalation. An integrated approach is used combining X-ray photoelectron spectroscopy (XPS), density functional theory plus dynamical mean-field theory (DFT+DMFT), and charge transfer multiplet (CTM) simulations.

The title of the article is:

“Redox chemistry of LiCoO₂, LiNiO₂, and LiNi_1/3Mn_1/3Co_1/3O₂ cathodes: Deduced via XPS, DFT+DMFT, and charge transfer multiplet simulations.”

The link to the article is here.