Unveiling the kinetic mechanism of oxygen vacancy and N-doping co-modified SrTiO 3 (100) for photocatalytic conversion of CO 2 and H 2 O into CH 4 via associative proton transfer: insights from ab initio molecular dynamics

The introduction of bifunctional active sites prolongs the carrier lifetime and accelerates the H 2 O-mediated proton transfer kinetics in the photocatalytic conversion from CO 2 and H 2 O to CH 4 .