Sodium ion transport mechanisms in antiperovskite electrolytes Na3OBr and Na4OI2: An in Situ neutron diffraction study
- Univ. of Nevada, Las Vegas, NV (United States)
- Univ. of Nevada, Las Vegas, NV (United States); Carnegie Inst. of Washington, Argonne, IL (United States); Huanghe Science and Technology College, Henan (China)
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Carnegie Inst. of Washington, Argonne, IL (United States); Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai (China)
- Peking Univ., Beijing (China)
- Chinese Academy of Sciences (CAS), Beijing (China)
Na-rich antiperovskites are recently developed solid electrolytes with enhanced sodium ionic conductivity and show promising functionality as a novel solid electrolyte in an all solid-stat battery. In this work, the sodium ionic transport pathways of the parent compound Na3OBr, as well as the modified layered antiperovskite Na4OI2, were studied and compared through temperature dependent neutron diffraction combined with the maximum entropy method. In the cubic Na3OBr antiperovskite, the nuclear density distribution maps at 500 K indicate that sodium ions ho within and among oxygen octahedra, and Br- ions are not involved in the tetragonal Na4OI2 antiperovskite, Na ions, which connect octahedra in the ab plane, have the lowest activation energy barrier. In conclusion, the transport of sodium ions along the c axis is assisted by I- ions.
- Research Organization:
- Univ. of Nevada, Las Vegas, NV (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE National Nuclear Security Administration (NNSA)
- Grant/Contract Number:
- NA0001982
- OSTI ID:
- 1332364
- Journal Information:
- Inorganic Chemistry, Vol. 55, Issue 12; ISSN 0020-1669
- Publisher:
- American Chemical Society (ACS)Copyright Statement
- Country of Publication:
- United States
- Language:
- English
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