Coordination environments of platinum single atom catalysts from NMR fingerprints

Coordination environments of platinum single atom catalysts from NMR fingerprints | Research Square window.SnipcartSettings = { analytics: { enabled: false } }; (function() { var accessVector = localStorage.getItem('access_vector') || ''; window.dataLayer = window.dataLayer || []; if (accessVector) { window.dataLayer.push({ user: { profile: { profileInfo: { snid: accessVector } } } }); } })(); (function(w,d,s,l,i){w[l]=w[l]||[];w[l].push({'gtm.start':new Date().getTime(),event:'gtm.js'});var f=d.getElementsByTagName(s)[0],j=d.createElement(s),dl=l!='dataLayer'?'&l='+l:'';j.async=true;j.src='https://www.googletagmanager.com/gtm.js?id='+i+dl;f.parentNode.insertBefore(j,f);})(window,document,'script','dataLayer','GTM-K279D39R'); Browse Preprints In Review Journals COVID-19 Preprints AJE Video Bytes Research Tools Research Promotion AJE Professional Editing AJE Rubriq About Preprint Platform In Review Editorial Policies Our Team Advisory Board Help Center Sign In Submit a Preprint Cite Share Download PDF Physical Sciences - Article Coordination environments of platinum single atom catalysts from NMR fingerprints Christophe Coperet, Jonas Koppe, Alexander Yakimov, Domenico Gioffrè, and 7 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-4793204/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 04 Jun, 2025 Read the published version in Nature → Version 1 posted You are reading this latest preprint version Abstract Single atom catalysts (SACs) have revolutionized the field of catalysis achieving an unprecedented level of control and metal utilization for solid materials, approaching what is expected with molecular catalysts.1-3 Establishing structure-activity relationships for their wide-ranging applications requires precise elucidation of the metal coordination environment, which remains a grand challenge.1,2 While electron microscopy reveals atomic dispersion, only average coordination environments can be deduced from state-of-the-art spectroscopic methods used in heterogeneous catalysis. Here, we establish 195Pt solid-state nuclear magnetic resonance (NMR) spectroscopy as a powerful methodology to acquire NMR signatures across a series of Pt-SACs dispersed on carbon based supports. Monte-Carlo simulations allow the conversion of NMR signatures into SAC fingerprints that describe local coordination environments with molecular precision and enable to quantitatively assess Pt-site distribution and homogeneity. This methodology can track the influence of synthetic parameters, e.g., specific protocols, synthetic steps and type of supports, on Pt-SAC structures, to guide the reproducible development of SACs with targeted structures. Such development provides a blueprint for the quantitative assessment of larger SAC families containing other NMR-active isotopes Physical sciences/Chemistry/Catalysis/Heterogeneous catalysis Physical sciences/Chemistry/Inorganic chemistry/Organometallic chemistry Physical sciences/Chemistry/Surface chemistry/Surface spectroscopy Full Text Additional Declarations There is NO Competing Interest. Supplementary Files SACSIfinal.pdf Supporting Information Coordination environments of platinum single atom catalysts from NMR fingerprints Cite Share Download PDF Status: Published Journal Publication published 04 Jun, 2025 Read the published version in Nature → Version 1 posted You are reading this latest preprint version Research Square lets you share your work early, gain feedback from the community, and start making changes to your manuscript prior to peer review in a journal. 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Also discoverable on Platform About Our Team In Review Editorial Policies Advisory Board Help Center Resources Author Services Accessibility API Access RSS feed Manage Cookie Preferences © Research Square 2026 | ISSN 2693-5015 (online) Privacy Policy Terms of Service Do Not Sell My Personal Information {"props":{"pageProps":{"initialData":{"identity":"rs-4793204","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Physical Sciences - Article","associatedPublications":[],"authors":[{"id":343156322,"identity":"31621492-81b2-4ab7-96d2-873a26a1b196","order_by":0,"name":"Christophe 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