Using density functional theory (DFT), we conducted firstprinciples simulations to investigate CO 2 and N 2 adsorption on pristine and BN-doped 2D polymeric C 60 sheets. These calculations were performed with the QUANTUM ESPRESSO (QE) software package , leveraging the Perdew-Burke-Ernzerhof (PBE) functional within the generalized gradient approximation (GGA) framework to describe electron-ion interactions.