Facet-Dependent Adsorbate-Mediated Strong Metal-Support Interaction in Ni/TiO2

Facet-Dependent Adsorbate-Mediated Strong Metal-Support Interaction in Ni/TiO2 | 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 Article Facet-Dependent Adsorbate-Mediated Strong Metal-Support Interaction in Ni/TiO 2 Yong Wang, Liboting Gao, Hao Zhang, Yanhui Long, Fangwen Yang, and 6 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-6765468/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 18 Dec, 2025 Read the published version in Nature Communications → Version 1 posted You are reading this latest preprint version Abstract Despite the growing significance of adsorbate-mediated strong metal-support interaction (A-SMSI) in various catalytic processes, a comprehensive mechanistic understanding of its formation and effective strategies for its precise modulation remain elusive. Herein, by constructing three well-defined model Ni/TiO 2 catalysts with distinct exposed facets, we directly visualize a facet-dependent A-SMSI behavior in CO 2 hydrogenation via in-situ environmental transmission electron microscopy (ETEM) at the atomic level. The in-situ results reveal distinct formation behaviors of TiO 2 − x overlayers: complete, partial, and no encapsulation of Ni nanoparticles (NPs) on the {100}, {101}, and {001} TiO 2 facets, respectively. Complementary in-situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and X-ray absorption spectroscopy (XAS) demonstrate interfacial electron transfer from TiO 2 − x to Ni, which is pivotal in stabilizing COOH * intermediates that dehydroxylate to form CO. Guided by these mechanistic insights, facet-dependent A-SMSI enables remarkable selectivity modulation, yielding CH₄ selectivity exceeding 89% on Ni/TiO 2 -{001} and CO selectivity over 83% on Ni/TiO 2 -{100}. These findings advance the fundamental understanding of A-SMSI and offer a rational framework for designing oxide-supported catalysts with tailored interfacial properties. Physical sciences/Materials science/Materials for energy and catalysis Physical sciences/Nanoscience and technology/Nanoscale materials Full Text Additional Declarations There is NO Competing Interest. Supplementary Files SupplementaryInformation.pdf Supplementary Materials Cite Share Download PDF Status: Published Journal Publication published 18 Dec, 2025 Read the published version in Nature Communications → 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. As a division of Research Square Company, we’re committed to making research communication faster, fairer, and more useful. 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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-6765468","acceptedTermsAndConditions":true,"allowDirectSubmit":false,"archivedVersions":[],"articleType":"Article","associatedPublications":[],"authors":[{"id":467422493,"identity":"aec91847-24ed-4881-896e-1cb51d2f1436","order_by":0,"name":"Yong 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Herein, by constructing three well-defined model Ni/TiO\u003csub\u003e2\u003c/sub\u003e catalysts with distinct exposed facets, we directly visualize a facet-dependent A-SMSI behavior in CO\u003csub\u003e2\u003c/sub\u003e hydrogenation via \u003cem\u003ein-situ\u003c/em\u003e environmental transmission electron microscopy (ETEM) at the atomic level. The \u003cem\u003ein-situ\u003c/em\u003e results reveal distinct formation behaviors of TiO\u003csub\u003e2\u0026thinsp;\u0026minus;\u0026thinsp;x\u003c/sub\u003e overlayers: complete, partial, and no encapsulation of Ni nanoparticles (NPs) on the {100}, {101}, and {001} TiO\u003csub\u003e2\u003c/sub\u003e facets, respectively. Complementary \u003cem\u003ein-situ\u003c/em\u003e diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) and X-ray absorption spectroscopy (XAS) demonstrate interfacial electron transfer from TiO\u003csub\u003e2\u0026thinsp;\u0026minus;\u0026thinsp;x\u003c/sub\u003e to Ni, which is pivotal in stabilizing COOH\u003csup\u003e*\u003c/sup\u003e intermediates that dehydroxylate to form CO. Guided by these mechanistic insights, facet-dependent A-SMSI enables remarkable selectivity modulation, yielding CH₄ selectivity exceeding 89% on Ni/TiO\u003csub\u003e2\u003c/sub\u003e-{001} and CO selectivity over 83% on Ni/TiO\u003csub\u003e2\u003c/sub\u003e-{100}. 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