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Understanding Electrochemical Sulfur-Based Phase Evolution via Complementary Insight from Operando Spatially Resolved X-ray Diffraction and X-ray Absorption Spectroscopy

  • Calvin D. Quilty
  • , Ryan C. Hill
  • , Mikaela R. Dunkin
  • , Armando Rodriguez Campos
  • , Arun Kingan
  • , Nicholas Von Stein
  • , Lisa M. Housel
  • , Esther S. Takeuchi
  • , John Okasinski
  • , Yonghua Du
  • , Dominik Wierzbicki
  • , Hui Zhong
  • , Zhong Zhong
  • , Nghia T. Vo
  • , Michael Drakopoulos
  • , Lei Wang
  • , Amy C. Marschilok
  • , Shan Yan
  • , Kenneth J. Takeuchi
  • Stony Brook University
  • Brookhaven National Laboratory
  • United States Department of Energy

Research output: Contribution to journalArticlepeer-review

Abstract

Lithium/sulfur batteries are emerging as promising candidates for use in large-scale energy storage, but practical challenges, including insufficient power density and polysulfide shuttling, remain. This work presents the first use of operando energy dispersive X-ray diffraction (EDXRD) to monitor Li/S electrochemistry within a liquid electrolyte. Complementary operando synchrotron-based EDXRD, X-ray absorption spectroscopy (XAS), X-ray powder diffraction (XPD), and ex situ laboratory Raman analysis provide evidence for α-S8conversion upon discharge into Li2Sxpolysulfide phases and conversion into β-S8during charge. Understanding the underlying mechanisms of sulfur reduction and oxidation within thick electrodes will enable advances in next-generation Li/S batteries and material design.

Original languageEnglish
Pages (from-to)10558-10567
Number of pages10
JournalJournal of Physical Chemistry Letters
Volume16
DOIs
StatePublished - 2025

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