Unveiling the Photocatalytic Potential of Two-Dimensional Ferroelastic LuSX Monolayers for Efficient Water Splitting: A First-Principles Discovery

This study represents the first demonstration that two-dimensional (2D) ferroelastic (FE) materials can enhance photocatalytic applications. By comprehensive first-principles calculations, we identified the LuSX (X=Cl, Br, I) monolayers as novel...