{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,9,4]],"date-time":"2026-09-04T08:14:27Z","timestamp":1788509667110,"version":"build-2803163510"},"reference-count":54,"publisher":"Wiley","issue":"16","license":[{"start":{"date-parts":[[2026,7,28]],"date-time":"2026-07-28T00:00:00Z","timestamp":1785196800000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/creativecommons.org\/licenses\/by\/4.0\/"},{"start":{"date-parts":[[2026,7,28]],"date-time":"2026-07-28T00:00:00Z","timestamp":1785196800000},"content-version":"tdm","delay-in-days":0,"URL":"http:\/\/doi.wiley.com\/10.1002\/tdm_license_1.1"}],"content-domain":{"domain":["onlinelibrary.wiley.com"],"crossmark-restriction":true},"short-container-title":["Small Methods"],"published-print":{"date-parts":[[2026,8]]},"abstract":"<jats:title>ABSTRACT<\/jats:title>\n                  <jats:p>\n                    Electrochemical CO\n                    <jats:sub>2<\/jats:sub>\n                    reduction offers a route to produce liquid fuels such as methanol; however, strong competition from hydrogen evolution and limited control over key reaction intermediates lead to low single\u2010product selectivity and poor stability under operating conditions. Heteronuclear dual\u2010atom catalysts (DACs) have shown great promise in this regard because two neighboring catalyst atoms can cooperatively bind and polarize oxygenated intermediates. Despite these attractive features, DACs often struggle to stabilize the right early intermediate for methanol, so CO\n                    <jats:sub>2<\/jats:sub>\n                    protonation defaults back to *COOH (and then *CO), which breaks methanol selectivity. Here, we utilize DAC systems stabilized on a carbon nitride (C\n                    <jats:sub>3<\/jats:sub>\n                    N\n                    <jats:sub>4<\/jats:sub>\n                    ) framework to resolve this mechanistic bottleneck at the molecular level using density functional theory and constrained molecular dynamics simulations. A Sn\u2013N\n                    <jats:sub>2<\/jats:sub>\n                    \/Cu\u2013N\n                    <jats:sub>2<\/jats:sub>\n                    DAC embedded in a C\n                    <jats:sub>3<\/jats:sub>\n                    N\n                    <jats:sub>4<\/jats:sub>\n                    framework, coupled to an explicit aqueous interface and evaluated under an applied potential, is shown to favor methanol formation through a six\u2010electron *OCHO pathway. The neighboring Sn and Cu sites synergistically stabilize a bidentate *OCHO intermediate through Sn\u2500O p\u2010orbital interactions, while suppressing formation of *COOH. The results provide a clear design rule for methanol\u2010selective CO\n                    <jats:sub>2<\/jats:sub>\n                    RR: enforce cooperative bidentate binding that locks in *OCHO and redirects the first protonation step away from *COOH and toward methanol.\n                  <\/jats:p>","DOI":"10.1002\/smtd.70874","type":"journal-article","created":{"date-parts":[[2026,7,28]],"date-time":"2026-07-28T09:36:03Z","timestamp":1785231363000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Selective Production of Methanol via Bidentate Coordination of an Intermediate on the Dual\u2010Atom Electro\u2010Catalyst"],"prefix":"10.1002","volume":"10","author":[{"given":"Imran","family":"Muhammad","sequence":"first","affiliation":[{"name":"National Industry\u2010Education Platform of Energy Storage Tianjin University  Tianjin People's Republic of 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