Utility of the inverse partial fluorescence for electronic structure studies of battery materials

TL;DR

This paper demonstrates that inverse partial fluorescence yield measurements improve the accuracy of X-ray absorption spectroscopy for battery materials, especially LiMnO2, by addressing saturation effects and avoiding misleading spectra.

Contribution

It introduces the use of inverse partial fluorescence yield as a crucial method for studying battery materials with XAS, overcoming saturation issues in fluorescence detection.

Findings

Inverse partial fluorescence yield provides more accurate spectra for LiMnO2.

Total fluorescence yield can be misleading for materials lacking high-Z elements.

Inverse partial fluorescence yield is essential for analyzing Li-ion battery materials.

Abstract

X-ray absorption spectroscopy (XAS) is one of the most widely used experimental techniques to study the electronic and spatial structure of materials. Fluorescence yield mode is bulk-sensitive, but has several serious problems coming from saturation effects. In this study, we show the usefulness of partial fluorescence yields in addressing these problems. We discuss the different behaviors of La2NiMnO6 and LiMnO2 at the Mn 2p absorption edges. The total fluorescence yield produces misleading spectra for LiMnO2 due to the absence of high-Z (Z: atomic number) elements. We conclude that the measurement of the inverse partial fluorescence yield is essential in studies of LiMnO2, which is a hotly debated Li-ion battery material.