“…To better understand the different activities with different catalytic centres, the reaction mechanisms of electrocatalytic CDRR, HER and OER for Co/Ni–TPNB-COF , Co–TPNB-COF and Ni–TPNB-COF are further explored via the free energy pathway. 15,19,25,30 Considering that CO is the main product in CDRR catalysed by the Co( ii )-porphyrin centre, it is possible to adsorb CO 2 on the Co( ii )-porphyrin sites for the CO 2 -to-CO conversion. As shown in Fig.…”