For　single-atom　catalysts　(SACs),　the　dopants　situated　near　the　metal　site　have　demonstrated　a　significant　impact　on　the　catalytic　properties.　However,　the　effect　of　dopants　situated　further　away　from　the　metal　centers　and　their　working　mechanisms　remain　to　be　elucidated.　Herein,　we　conduct　density　functional　theory-driven　studies　on　regulating　the　peripheral　nitrogen　dopants　in　graphene-based　SACs,　with　a　particular　focus　on　Ir1　SAC,　for　propane　dehydrogenation　(PDH).　It　is　found　that　increasing　the　distance　between　the　N　dopant　and　the　Ir1　site　results　in　a　different　energy　change　for　the　reaction　process　compared　to　the　dense　doping　models　with　only　first　and　second-shell　N　species.　The　proposed　stochastic　doping　models　demonstrate　statistically　that　increasing　the　N　dopant　in　farther　shells　not　only　enhances　the　activity　of　Ir1　but　also　maintains　a　high　selectivity　for　propene,　which　is　verified　by　experimental　tests.　The　modulation　of　the　d-band　center　of　Ir1　by　stochastic　N　dopants　effectively　modifies　the　binding　strength　of　reaction　intermediates,　thereby　enabling　the　optimization　of　the　potential　energy　surface　of　PDH.　These　results　deepen　the　understanding　of　dopant　states　around　metal　sites　and　provide　an　important　implication　for　the　doping　engineering　in　heterogeneous　catalysis.　©　2024　Wiley-VCH　GmbH.