Neutron-Induced Defects and their Effects on Structural and Electrical Properties of LiBO2 Material

POSTER

Abstract

LiBO2 material has drawn research interest due to its potential applications such as electrode coatings and solid electrolytes of Li-ion batteries. However, its ionic conductivity is low (~10-6 – 10-5 S/cm), requiring improvement. Here, we investigate experimentally the effects of thermal-neutron irradiation on the properties of the monoclinic structure (α phase) of polycrystalline LiBO2 pellets. Analysis of scanning electron microscopy and x-ray photoelectron spectroscopy show systematic dose-dependent changes of surface microstructure and chemistry, indicating the presence of neutron-induced defects, such as B vacancies, generated due to nuclear reactions between neutrons and 10B isotopes (~20% of B). In contrast, x-ray diffraction shows no new crystalline phase detectable in irradiated pellets, suggesting that neutron irradiation does not significantly degrade the crystal structure. Electrochemical impedance spectroscopy shows a ~30% increase of the ionic conductivity of pellets irradiated for 60 minutes, suggesting that thermal neutron irradiation might be a viable strategy to improve the ionic conductivity of the LiBO2 material as first suggested from density functional theory calculations.[1,2]

Publication: [1] C. Ziemke, et al., "Formation of lattice vacancies and their effects on lithium-ion transport in LiBO2 crystals: comparative ab initio studies", J. Mater. Chem. A 13, 3146 (2025). https://pubs.rsc.org/en/content/articlelanding/2025/ta/d4ta05713a
[2] See talk by C. Wexler in oral session " Ab initio study of the enhancement of lithium-ion transport in in LiBO2 crystals in presence of lattice vacancies".

Presenters

  • Carson D Ziemke

    University of Missouri

Authors

  • Ha M Nguyen

    University of Missouri

  • Carson D Ziemke

    University of Missouri

  • Zach Vogelsmeier

    University of Missouri

  • Bikash Saha

    University of Missouri

  • Narendirakumar Narayanan

    University of Missouri

  • Yangchuan Xing

    University of Missouri

  • John Gahl

    University of Missouri

  • Carlos Wexler

    University of Missouri

  • Thomas W Heitmann

    University of Missouri