In-situ/operando electrochemical cells are developed at ALS beamline 8.0.1. In-situ XAS data can be collected at real time to monitor the spectroscopic change during the electrochemical process. Multiple channels allow scientists to study both the bulk and the electrolyte/electrode interface at the same time. DFT calculations are further involved in to better understand the spectroscopic data. In this study, we use an example to show the behavior of Mg<sup>2+</sup> ions in bis(trifluoromethanesulfonyl)imide (TFSI) electrolyte under different electrochemical potential.

Combining Density Functional Theory (DFT) Calculations with In-situ X-ray Absorption Spectra (XAS) to Understand the Behavior of Ions in Electrolyte

Fall 2022 abstracts, posters, and presentations will launch in mid-September.

ACS Fall 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.