Core shell ZnO-MnO 2 nanocomposites for dye degradation and DFT simulation

Core shell ZnO-MnO 2 nanocomposites for dye degradation and DFT simulation | 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 Research Article Core shell ZnO-MnO 2 nanocomposites for dye degradation and DFT simulation F. Joudi, W. Selmi, J. Ben Naceur, R. Chtourou This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-3922017/v1 This work is licensed under a CC BY 4.0 License Status: Posted Version 1 posted You are reading this latest preprint version Abstract To promote the photogeneration of charge–carriers separation, the ZnO/MnO 2 nanocomposites have been efficiently synthesized via simple hydrothermal process and tested as photocatalyst for dye degradation. The samples of ZnO, MnO 2 , and ZnO/MnO 2 nanocomposites have been investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-vis diffuse reflection spectroscopy and photoluminescence spectra (PL). The photocatalytic activity of the ZnO/MnO 2 prepared using 10 mg is much higher than that of ZnO or MnO 2 as demonstrated by optical and photoluminescence measurement. The improvement of Methyl Orange (MO) photodegradation compared with pure ZnO and MnO 2 is originated from the high surface area, the efficient sun light absorption and the excellent charge carrier’s separation of the ZnO/MnO 2 photocatalyst. The DFT simulations of ZnO and MnO 2 have determined the electronic origin of structures properties and demonstrate that photocatalytic activity is attributed to the electrons transition between valence and conduction bands of materials. Nanocomposites ZnO/MnO2 Optical properties Photocatalyst DFT Full Text Additional Declarations No competing interests reported. Cite Share Download PDF Status: Posted 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. Our growing team is made up of researchers and industry professionals working together to solve the most critical problems facing scientific publishing. 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-3922017","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":270764200,"identity":"3a9314a6-bd44-4ea2-be0c-9ca49259a7e8","order_by":0,"name":"F. Joudi","email":"","orcid":"","institution":"Research and Technology Center of Energy","correspondingAuthor":false,"prefix":"","firstName":"F.","middleName":"","lastName":"Joudi","suffix":""},{"id":270764201,"identity":"d03004c0-fb3d-45f8-b131-8270b774d4cf","order_by":1,"name":"W. Selmi","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAA8UlEQVRIiWNgGAWjYFAC5gaGBAYGfgb25oMPgFwePsJaGMFaJBt4jiUbgLSwEaWFAaRFIsdMAsQiqEW+vbF1w8M2Own+nmNplV9z7GTYGJgfPrqBR4vBmYNtNxLbkiUkjjcfuy27LRnoMDZj4xx8WiQSgVq2MdcxnDmWdltyGzNQCw+bND4t8vMfgrTUS8jfyDErltxWT1gLww1GkJbDEgZALYwftx0mrMXgDMhh/45LGJ45lizNuO04DxszAb/Itx8+dvPHmWoJuePNBz/+3FZtz8/e/PAxXochA2YeMEmschBg/EGK6lEwCkbBKBgxAACWME5WYtvkPwAAAABJRU5ErkJggg==","orcid":"","institution":"Research and Technology Center of Energy","correspondingAuthor":true,"prefix":"","firstName":"W.","middleName":"","lastName":"Selmi","suffix":""},{"id":270764202,"identity":"fd550da3-9a83-46cc-955a-24d2489aec02","order_by":2,"name":"J. Ben Naceur","email":"","orcid":"","institution":"Research and Technology Center of Energy","correspondingAuthor":false,"prefix":"","firstName":"J.","middleName":"Ben","lastName":"Naceur","suffix":""},{"id":270764203,"identity":"55722740-af4e-4447-803d-45c0732ba99b","order_by":3,"name":"R. Chtourou","email":"","orcid":"","institution":"Research and Technology Center of Energy","correspondingAuthor":false,"prefix":"","firstName":"R.","middleName":"","lastName":"Chtourou","suffix":""}],"badges":[],"createdAt":"2024-02-02 20:29:16","currentVersionCode":1,"declarations":"","doi":"10.21203/rs.3.rs-3922017/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-3922017/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":51301495,"identity":"6de349ad-a85b-446b-b2d4-b8357b9eb7c8","added_by":"auto","created_at":"2024-02-19 07:03:18","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":973515,"visible":true,"origin":"","legend":"","description":"","filename":"Manuscript.pdf","url":"https://assets-eu.researchsquare.com/files/rs-3922017/v1_covered_15fd2b8f-0f1b-461c-8c6a-4fd03d50ed4b.pdf"}],"financialInterests":"No competing interests reported.","formattedTitle":"Core shell ZnO-MnO 2 nanocomposites for dye degradation and DFT simulation","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":false,"hideJournal":true,"highlight":"","institution":"","isAcceptedByJournal":false,"isAuthorSuppliedPdf":true,"isDeskRejected":"","isHiddenFromSearch":false,"isInQc":false,"isInWorkflow":false,"isPdf":true,"isPdfUpToDate":true,"isWithdrawnOrRetracted":false,"journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true},"keywords":"Nanocomposites, ZnO/MnO2, Optical properties, Photocatalyst, DFT","lastPublishedDoi":"10.21203/rs.3.rs-3922017/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-3922017/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003eTo promote the photogeneration of charge\u0026ndash;carriers separation, the ZnO/MnO\u003csub\u003e2\u003c/sub\u003e nanocomposites have been efficiently synthesized via simple hydrothermal process and tested as photocatalyst for dye degradation. The samples of ZnO, MnO\u003csub\u003e2\u003c/sub\u003e, and ZnO/MnO\u003csub\u003e2\u003c/sub\u003e nanocomposites have been investigated by X-ray diffraction (XRD), scanning electron microscopy (SEM), UV-vis diffuse reflection spectroscopy and photoluminescence spectra (PL). The photocatalytic activity of the ZnO/MnO\u003csub\u003e2\u003c/sub\u003e prepared using 10 mg is much higher than that of ZnO or MnO\u003csub\u003e2\u003c/sub\u003e as demonstrated by optical and photoluminescence measurement. The improvement of Methyl Orange (MO) photodegradation compared with pure ZnO and MnO\u003csub\u003e2\u003c/sub\u003e is originated from the high surface area, the efficient sun light absorption and the excellent charge carrier\u0026rsquo;s separation of the ZnO/MnO\u003csub\u003e2\u003c/sub\u003e photocatalyst. The DFT simulations of ZnO and MnO\u003csub\u003e2\u003c/sub\u003e have determined the electronic origin of structures properties and demonstrate that photocatalytic activity is attributed to the electrons transition between valence and conduction bands of materials.\u003c/p\u003e","manuscriptTitle":"Core shell ZnO-MnO 2 nanocomposites for dye degradation and DFT simulation","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2024-02-06 03:33:29","doi":"10.21203/rs.3.rs-3922017/v1","editorialEvents":[{"type":"communityComments","content":0}],"status":"published","journal":{"display":true,"email":"[email protected]","identity":"researchsquare","isNatureJournal":false,"hasQc":true,"allowDirectSubmit":true,"externalIdentity":"","sideBox":"","snPcode":"","submissionUrl":"/submission","title":"Research Square","twitterHandle":"researchsquare","acdcEnabled":true,"dfaEnabled":false,"editorialSystem":"","reportingPortfolio":"","inReviewEnabled":false,"inReviewRevisionsEnabled":true}}],"origin":"","ownerIdentity":"959f8cd8-f2f1-4ffc-afa9-209845957c72","owner":[],"postedDate":"February 6th, 2024","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[],"tags":[],"updatedAt":"2024-02-19T07:02:59+00:00","versionOfRecord":[],"versionCreatedAt":"2024-02-06 03:33:29","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-3922017","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-3922017","identity":"rs-3922017","version":["v1"]},"buildId":"_2-kVJe1T_tPrBINL-cwx","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}