The　electrocatalytic　oxygen　reduction　reaction　(2e(-)　ORR)　via　a　two-electron　process　is　a　promising　pathway　for　the　production　of　hydrogen　peroxide　(H2O2).　Here,　we　systematically　investigated　the　2e(-)　ORR　process　on　graphdiyne　(GDY)　supported　single　transition　metal　atoms　(TM1@GDY)　using　density　functional　theory　(DFT)　calculations.　Among　the　23　TM1@GDY　catalysts,　Pt-1@GDY　showed　the　best　performance　for　the　H2O2　product　with　an　overpotential　as　low　as　0.15　V.　The　electronic　structure　analysis,　on　the　one　hand,　elucidates　that　the　electron　transfer　between　Pt-1@GDY　and　the　adsorbed　O-2　facilitates　the　activation　of　O-2,　and,　on　the　other　hand,　reveals　that　the　high　2e(-)　ORR　activity　of　Pt-1@GDY　lies　in　the　transfer　of　electrons　from　the　filled　Pt-3d　orbitals　to　the　2p　antibonding　orbitals　of　OOH*,　which　effectively　activates　the　O-O　bond.　This　work　provides　insights　to　design　efficient　electrocatalysts　for　H2O2　generation.