In this research, CO2 adsorption on pure and bimetallic gold and platinum clusters as well as Au3Pt2 and Au2Pt3 bimetallic clusters, was carried out using Density Functional Theory (DFT). Additionally, the geometric structures, doping energy, ionization potential, and electron affinity of these nanoclusters were investigated. The results showed that the most stable bimetallic cluster was Pt2Au3-3 with a doping energy of -44.73 kcal/mol. The calculated interaction energy between the CO2 molecule and the Au2Pt3 cluster are from -28.45 to -3.90 kcal/mol, while for the Au3Pt2 cluster are from -81.25 to -46.80 kcal/mol. The calculated activation energy range for the dissociation of carbon dioxide molecule on the Au2Pt3 and Au3Pt2 metal clusters was found to be between 13.44 and 70.23 kcal/mol, with the lowest activation energy (13.44 kcal/mol) corresponding to the Pt2Au3-1b cluster, which exhibited the highest CO2 cleaving rate. The results show that the calculated activation energy has a direct relationship with the amount of charge transferred from the cluster to the CO2 molecule. From the Transition State Theory (TST), the calculated KTST is in order of 10+13 S-1.