Unveiling the potential of M-graphene and phosphorus-decorated M-graphene for SO₂ and O₃ gas sensing: Insights from DFT study

Key Points

• Enhanced gas sensing capability for SO₂ and O₃ was observed in phosphorus-decorated M-graphene.
• The analysis demonstrated significant adsorption energy changes for both gases on M-graphene variations.
• Density functional theory calculations were employed to assess the interaction between gas molecules and M-graphene surfaces.
• The findings indicate that phosphorus decoration improves the selectivity and sensitivity in gas sensing applications.