Supporting data for "Understanding the impact of precipitation kinetics on the electrochemical performance of lithium–sulfur batteries by operando X-ray diffraction"

This is the dataset of electrochemical and operando X-ray diffraction measurements for our publication "Understanding the impact of precipitation kinetics on the electrochemical performance of lithium–sulfur batteries by operando X-ray diffraction". This archive contains the raw data and scripts written in R used in the analysis and presentation of the results in this manuscript.

Abstract of the manuscript:

The complex reaction mechanism of the lithium–sulfur battery system consists of repetitive dissolution and precipitation of the sulfur-containing species in the positive electrode. In particular, the precipitation of lithium sulfide (Li₂S) during discharge has been considered a crucial factor for obtaining a high degree of active material utilization. Here, the influence of electrolyte amount, electrode thickness, applied current and electrolyte salt on the formation of Li₂S is systematically investigated in a series of operando X-ray diffraction experiments. Through a combination of simultaneous diffraction and resistance measurements, the evolution of Li₂S is directly correlated to the variation in internal resistance and transport properties inside the positive electrode. The correlation indicates that at different stages, the Li₂S precipitation both facilitates and impedes the discharge process. This information on the kinetics of Li₂S formation offers mechanistic explanations for the strong impact of different electrochemical cell parameters on the cell performance and thus, directions for holistic optimizations to achieve high sulfur utilization.