Synthesis, Structure, Elastic, Electric and Charge Storage Capacity of Li6O6 Crystals

Abstract

The Li6O6 is synthesized by employing a simple procedure and studying the single-crystal structure. The prepared sample belongs to a monoclinic crystal system with a P21/n space group, and the cell parameters a= 8.485(3) Å, b=10.237(3) Å, c=11.946(4) Å, β=96.208°, and Z=4. Characterization studies of this material indicate a weak energy storage density. Further, the elastic constants and other physical parameters are computed using dynamic molecular study and compared with Li-O-based compounds to understand the compound better. The dielectric constant, conductivity, and dielectric loss were determined as a function of ac frequency and varying temperature, and the results were analyzed.