Theoretical study of the mechanism for photocatalytic CO2 reduction to methanol over layered double hydroxides

The Jahn–Teller effect of Cu leads to the structural distortion of (ZnCu) 2 Ga–NO 3 –LDH, which results in a special adsorption geometry of the key intermediate CH 3 OH*, preventing it from over-reduction and thus improving the selectivity for CH 3 OH.