Transition Metal-Based Perovskite Derivatives for Selective CO Photoreduction: Role of Orbital Occupancy.

Transition metals are renowned for their effective catalytic properties. Incorporating transition metals into halide perovskite derivatives is a key strategy for tuning the properties of perovskites to enhance their photocatalytic performance. Understanding the d-orbital occupancy and spin activity of these transition metals in the CO photoreduction process is essential for fully realizing the photocatalytic potential of these materials.