A simplified and facile preparation method for the [Ca24Al28O64]4+(e−)4 electride

Abstract

Wide application of novel materials often requires low-cost preparation methods. In this study, we present a simplified and facile preparation method for the [Ca₂₄Al₂₈O₆₄]⁴⁺(e⁻)₄ electride material (C12A7:e⁻). Successful preparation of the C12A7:e⁻ electride was confirmed by XRD patterns and magnetic behavior analysis. The concentration of electrons in the prepared C12A7:e⁻ powder was calculated to be approximately 2.23 × 10²¹ cm⁻³, as evaluated by iodometry and TPD. DFT calculations provided insight into the unique electronic structure of C12A7:e⁻. Additionally, the substitution of the Ca reductant with CaH₂ led to a reduction in the solid-state reaction temperature from 1100 to 950 °C, which can be attributed to thermodynamic effects such as a reduction in ΔG°.