Structure of ABX<sub>3</sub>: Exploring the PT Phase Diagram

ORAL

Abstract

Perovskite photovoltaic ABX3 systems possess high energy-conversion efficiencies.  Understanding their atomic-level properties will lead to their optimization and utilization in real-world applications. Synchrotron-based structural measurements over a broad range of temperatures and pressures are being conducted.  The detailed studies have revealed new space group symmetries, which have revised the existing assignments. High-pressure measurements reveal multiple low-pressure phases, one of which exists as a metastable phase at ambient pressure. This work should help guide research in the perovskite photovoltaic community by providing the structural details needed to develop accurate theoretical models.

*This work is supported by NSF grant DMR-1809931.

Publication: S. Liu S, A. R. DeFilippo, M. Balasubramanian, Z. Liu, S. G. Wang, Y. S. Chen, S. Chariton, V. Prakapenka, X. Luo, L. Zhao, J. S. Martin, Y. Lin, Y. Yan, S. K. Ghose, and T. A. Tyson, "High-Resolution In-Situ Synchrotron X-Ray Studies of Inorganic Perovskite CsPbBr3 : New Symmetry Assignments and Structural Phase Transitions", Adv. Sci (Weinh). 2021 Sep;8(18):e2003046

Presenters

  • Sizhan Liu

    • NJIT

Authors

  • Sizhan Liu

    • NJIT
  • Mahalingam Balasubramanian

    • Argonne National Laboratory
  • Zhenxian Liu

    • University of Illinois at Chicago
  • Yu-Sheng Chen

    • University of Chicago
  • Stella Chariton

    • Center for Advanced Radiation Sources, University of Chicago, 5640 South Ellis Avenue, Chicago, Illinois 60637, USA
    • Center for Advanced Radiation Sources, University of Chicago
    • University of Chicago
    • GSECARS, Advanced Photon Source, Argonne National Laboratory
  • Vitali B Prakapenka

    • Center for Advanced Radiation Sources, University of Chicago
    • University of Chicago
    • Center for Advanced Radiation Sources, University of Chicago, Chicago, IL 60439, USA
    • GSECARS, Advanced Photon Source, Argonne National Laboratory
  • Xiangpeng Luo

    • University of Michigan
  • Liuyan Zhao

    • University of Michigan
  • Yong Yang

    • San Diego State University
  • Sanjit Ghose

    • Brookhaven National Laboratory
  • Trevor A Tyson

    • New Jersey Inst of Tech