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Carbon\u2010based materials possess prospects as candidate catalysts for the production of H\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>2<\/jats:sub>\n                    . Herein, cedar\u2010derived monolithic carbon catalysts modified with coupling oxygen doping and phthalocyanine molecules are synthesized. Cobalt phthalocyanine (CoPc)\u00a0molecules are introduced onto the carbon surface to construct monomolecular active sites via \u03c0\u2010\u03c0 stacking. The electronic structure of CoPc is modulated by oxygen doping on carbon substrates, mediated by monomolecular \u03c0\u2010\u03c0 stacking. A synergistic effect optimally modulated the interaction between CoPc and key intermediate to H\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>2<\/jats:sub>\n                    . The energy barrier for oxygen reduction is reduced to optimize the selectivity to H\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>2<\/jats:sub>\n                    . CoPc@OCW provided up to 99% selectivity to H\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>2<\/jats:sub>\n                    at 0.7\u00a0V versus RHE. In a three\u2010phase flow cell, CoPc@OCW achieved an H\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>2<\/jats:sub>\n                    yield up to 10.4 mol\u00b7g\n                    <jats:sup>\u22121<\/jats:sup>\n                    \u00b7h\n                    <jats:sup>\u22121<\/jats:sup>\n                    at 0.2\u00a0V versus RHE with stable running for 24 h. The advantages of carbon\u2010based catalysts including the adjustable chemical structure depending on \u03c0\u2010\u03c0 stacking and electronic structure of carbon atoms through oxygen doping improved the catalytic performances in the production of H\n                    <jats:sub>2<\/jats:sub>\n                    O\n                    <jats:sub>2<\/jats:sub>\n                    . This proof\u2010to\u2010concept research demonstrates the potential application of carbon\u2010based molecular catalysts for electrochemical synthesis.\n                  <\/jats:p>","DOI":"10.1002\/adma.202502197","type":"journal-article","created":{"date-parts":[[2025,2,26]],"date-time":"2025-02-26T04:26:21Z","timestamp":1740543981000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":45,"title":["Monomolecule Coupled to Oxygen\u2010Doped Carbon for Efficient Electrocatalytic Hydrogen Peroxide Production"],"prefix":"10.1002","volume":"37","author":[{"given":"Yanyan","family":"Liu","sequence":"first","affiliation":[{"name":"College of Science Henan Agricultural University  Zhengzhou 450002 P. R. China"},{"name":"College of Chemistry Zhengzhou University  Zhengzhou 450001 P. R. 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