Unconventional and Powerful Ion Sources for Solid-State Ion Exchange, CuSO and CuPO: Exemplified by the Synthesis of Metastable β-CuGaO from Stable β-LiGaO.

This study introduces a new method for synthesizing Cu-containing metastable phases through ion exchange. Traditionally, CuCl has been used as a Cu ion source for solid-state ion exchanges; however, its thermodynamic driving force is often insufficient for complete ion exchange with Li-containing precursors. First-principles calculations have identified CuSO and CuPO as more powerful alternatives, providing a higher driving force than CuCl.