Top and side views of the optimized (A) (110) and (B) (100) facet of InVO₄. In, V, O, C, and H atoms are represented by light green, violet, red, brown, and white spheres, respectively. The black dashed circle represents active sites. (C) Computed Gibbs free energy diagram of CO₂ reduction reaction into CO catalyzed by (110) for black line and (100) for orange line, respectively. Adapted with permission from Ref. [99], copyright 2019 American Chemical Society.