Theoretical understanding of oxygen redox feature observed on RIXS map of battery cathode materials

ORAL

Abstract

High energy density rechargeable batteries are essential to meet the ever growing global energy demand. Recently, cathode materials which have redox activity of both transition metal and oxygen are found to be very promising in this regard. However, the exact mechanism for the oxygen redox is yet to be understood. Resonant inelastic x-ray scattering (RIXS) has been established as a reliable probe of the critical oxygen states involved in battery electrodes with oxygen redox activities. The interpretation of specific O -K RIXS features; however, has not yet been achieved. To this end, we have performed theoretical calculations using new algorithm we developed to understand the spectroscopic feature from first principle. We aim to shed light on the physics of cathode materials and suggest design schemes for cathodes with exceptional capacity.

*Department of Energy

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Presenters

  • Iwnetim Abate

    • Department of Materials Science and Engineering, Stanford University

Authors

  • Iwnetim Abate

    • Department of Materials Science and Engineering, Stanford University

  • Chunjing Jia

    • Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory
    • SIMES, SLAC National Accelerator Lab
    • SSRL Materials Science Division, SLAC National Accelerator Laboratory and Stanford University
    • Stanford University

  • Brian Moritz

    • Stanford University
    • Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory
    • SLAC National Accelerator Laboratory
    • SLAC and Stanford University
    • Institute for Materials and Energy Science, Stanford
    • SSRL Materials Science Division, SLAC National Accelerator Laboratory and Stanford University

  • Michael F Toney

    • SLAC National Accelerator Laboratory
    • SSRL Materials Science Division, SLAC National Accelerator Laboratory and Stanford University

  • Thomas Devereaux

    • Stanford University
    • Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory
    • SLAC National Accelerator Laboratory
    • Physics, Stanford University
    • SLAC and Stanford University
    • Institute for Materials and Energy Science, Stanford
    • SIMES, SLAC National Accelerator Lab
    • SLAC National Accelerator Laboratory and Stanford University, Stanford Institute for Materials and Energy Sciences
    • SLAC, Stanford
    • SIMES, SLAC, and Stanford University
    • Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory and Stanford University

  • Sri Chaitanya Das Pemmaraju

    • SLAC National Accelerator Laboratory
    • SLAC, Stanford
    • Stanford Institute for Materials and Energy Sciences, SLAC National Accelerator Laboratory and Stanford University