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