As shown in Figure , AIMD simulations were performed to track the bond length change in a bimetallic NiZn-N6 system during the CO2 reduction reaction (CO2RR). It is found that the length of Ni-Zn, Ni-N, and Zn-N bonds change in a certain range with the formation of COOH * and CO * intermediates, confirming the synergistic effect of Ni-Zn bimetal sites in the kinetic pathway. The adaptable coordination of individual Cu sites in the Cug/PCN catalyst also enables a cooperative bridge-coupling pathway through dynamic Cu-Cu bonding. This will be detailed in Section 3.4.