Based on the findings illustrated in Figure , the reaction of MgC2O4 splitting into MgCO3 and CO demonstrated a negative free energy change of -1.02 eV. In contrast, the formation of MgCO2 and CO2 exhibited a lower negative free energy change of -0.63 eV. Consequently, the formation of MgCO3 and CO is predicted to be thermodynamically favorable on the investigated RuO2 (211) catalyst. Furthermore, in the nucleation process of Li2CO3 on various catalytic surfaces, an intermediate CO species have been identified, which subsequently undergoes disproportionation to yield C and CO2, as depicted in Figure .