A simplified and facile preparation method for the [Ca 24 Al 28 O 64 ] 4+ (e - ) 4 electride.

Wide application of novel materials often requires low-cost preparation methods. In this study, we present a simplified and facile preparation method for the [Ca 24 Al 28 O 64 ] 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 × 10 21 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 CaH 2 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 Δ G °.