Instead of the default pseudopotentials used in the previous studies , we employed the VASPrecommended pseudopotentials with more extended valence states. A parity plot of the adsorption energies obtained by both types of the pseudopotentials (Figures ) indicates strong similarity between the results. This demonstrates a good agreement in adsorption energies, eliminating the possibility of large pseudopotential errors on COHP and DFT calculations. Therefore, the recommended pseudopotentials are used throughout the rest of this study. To capture the electronic structure accurately, the calculations were performed with a fixed charge density (ICHARG = 11) and with symmetry turned off (ISYM = 0). The Local Orbital Basis Suite Towards Electronic-Structure Reconstruction (LOBSTER) package was used to calculate ICOHP values within the energy grid ranging from -25 to 15 eV.