Advanced characterization of high-capacity electrodes with x-ray Compton scattering

ORAL

Abstract

Li-rich layered oxides (LRLOs) have been very promising cathode materials due to their exceptionally high capacity of ~300 mAh/g and energy density of ~1000 mWh/g. However, the reaction mechanism underlying their electrochemical operation is not fully understood. Recent work on pristine cathode materials shows that Compton scattering spectroscopy can provide a useful tool to unravel the relationship between the key battery characteristics and the nature of the electronic orbitals involved in Li intercalation reactions [1]. Here, we discuss high-energy x-ray Compton scattering spectra along with parallel first-principles computations from Li1.2-xTi0.4Me0.4O2 (Me = Mn and Fe) for the purpose of developing advanced spectroscopic tools for characterizing LRLO battery materials. Our study gives insight into how we can obtain a faithful reconstruction of the redox orbitals using the Compton scattering technique. We also discuss the reversibility of the solid-state redox processes, and the related issues of lattice distortions, charge compensation, and the covalent mechanism of transition metal and oxide ions as a pathway to provide a new generation of insights into the mechanisms at play in LRLO battery materials.
[1] Hafiz et al. Science Advances 3 (8), e1700971 (2017).

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Presenters

  • Hasnain Hafiz

    • Mechanical Engineering, Carnegie Mellon University
    • Mechanical Engineering, Carnegie Mellon University, Pittsburgh, PA, USA

Authors

  • Hasnain Hafiz

    • Mechanical Engineering, Carnegie Mellon University
    • Mechanical Engineering, Carnegie Mellon University, Pittsburgh, PA, USA

  • Bernardo Barbiellini

    • Physics, Lappeenranta University of Technology
    • Lappeenranta University of Technology
    • Department of Physics, School of Engineering Science, Lappeenranta University of Technology
    • Physics, School of Engineering Science, Lappeenranta University of Technology, Lappeenranta, Finland

  • Kosuke Suzuki

    • Graduate School of Science and Technology, Gunma University, Kiryu, Gunma, Japan

  • Gregory Houchins

    • Mechanical Engineering, Carnegie Mellon University, Pittsburgh, PA, USA

  • Hiroshi Sakurai

    • Graduate School of Science and Technology, Gunma University, Kiryu, Gunma, Japan

  • Arun Bansil

    • Department of Physics, Northeastern University
    • Northeastern
    • Physics, Northeastern University, Boston, Massachusetts 02115, USA
    • Northeastern University
    • Northeastern University, Boston (MA), USA
    • Physics, Northeastern U.
    • Department of Physics, Northwestern University
    • Physics, Northeastern University, Boston, MA, USA

  • Venkatasubramanian Viswanathan

    • Mechanical Engineering, Carnegie Mellon University, Pittsburgh, PA, USA