Intrinsic strain of defect sites steering chlorination reaction for water purification

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Abstract Carbon nanotube (CT)–based chemical technologies particular in heterogenous advanced oxidation processes (AOPs) used for water purification, have been exploited over the several decades. Many strategies of CT modification have been exploited to improve the catalytic performance in the remediation processes. However, the strain fields of intrinsic defect sites on CT steering AOPs (such as chlorination) have never been reported. Here we for the first time explored the strained defect sites steering chlorination process onto high–efficient and green abatement of 2,4–dichlorophenol. Characterizations and theory analysis unveil that the strained defect sites with the elongated sp2 hybridized C–C bond displaying the larger spin–lattice relaxation boost electronic reactivity with chlorine molecules via the initial Yeager–type adsorption. As a result, the amounts and catalogs of reactive species in our chlorination are tunable on demand, such as the ratio of high–selectivity ClO• ranging from 38.8% in pure defects–based system to 87.5% in strain dominated process, which result in generating the harmless intermediates and even deep mineralization of organic. Thus, this work highlights the vital role of the strain fields on steering chlorination reaction for greener water purification even beyond.
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Intrinsic strain of defect sites steering chlorination reaction for water purification | 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 Intrinsic strain of defect sites steering chlorination reaction for water purification Zuo Sijin, Zhang yinqiao, Chen Mohan, He Xuanyu, Zhao Erzhuo, and 5 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-4697524/v1 This work is licensed under a CC BY 4.0 License Status: Published Journal Publication published 18 Mar, 2025 Read the published version in Nature Communications → Version 1 posted You are reading this latest preprint version Abstract Carbon nanotube (CT)–based chemical technologies particular in heterogenous advanced oxidation processes (AOPs) used for water purification, have been exploited over the several decades. Many strategies of CT modification have been exploited to improve the catalytic performance in the remediation processes. However, the strain fields of intrinsic defect sites on CT steering AOPs (such as chlorination) have never been reported. Here we for the first time explored the strained defect sites steering chlorination process onto high–efficient and green abatement of 2,4–dichlorophenol. Characterizations and theory analysis unveil that the strained defect sites with the elongated sp2 hybridized C–C bond displaying the larger spin–lattice relaxation boost electronic reactivity with chlorine molecules via the initial Yeager–type adsorption. As a result, the amounts and catalogs of reactive species in our chlorination are tunable on demand, such as the ratio of high–selectivity ClO• ranging from 38.8% in pure defects–based system to 87.5% in strain dominated process, which result in generating the harmless intermediates and even deep mineralization of organic. Thus, this work highlights the vital role of the strain fields on steering chlorination reaction for greener water purification even beyond. Earth and environmental sciences/Environmental sciences/Environmental chemistry/Pollution remediation Health sciences/Health care/Drug regulation Full Text Additional Declarations There is NO Competing Interest. Supplementary Files Supplementaryinformation.pdf Cite Share Download PDF Status: Published Journal Publication published 18 Mar, 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. We do this by developing innovative software and high quality services for the global research community. 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