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In this study SO 2 adsorption on intrinsic graphene (IG), Ni-doped graphene (NiG) and Pd-doped graphene (PdG) has been analyzed and studied using density functional theory (DFT) based on first principles. • Ni doped graphene (NiG) and Pd doped graphene (PdG) are stable chemisorption for SO 2. • Double SO 2 molecules can be stably adsorbed on NiG and PdG. • PdG is more suitable for the detection of SO 2 gas molecules than NiG. In this study SO 2 adsorption on intrinsic graphene (IG), Ni-doped graphene (NiG) and Pd-doped graphene (PdG) has been analyzed and studied using density functional theory (DFT) based on first principles. By analyzing the adsorption energy, bond length, bond angle, charge transfer, DOS, PDOS and frontier molecular orbitals, it can be proved that NiG and PdG have excellent SO 2 adsorption performance than IG. PdG has better SO 2 adsorption performance than NiG thanks to the strong overlapping of peaks in PDOS and the obvious reduction of energy gap. In particular, the stable adsorption of double SO 2 on NiG and PdG means that Ni or Pd doping has practical value. Therefore, the study in this paper provides a feasible direction to the detection of SO 2. [ABSTRACT FROM AUTHOR]