Investigation of thermal, structural, vibrational spectroscopic and optical properties of LiNi0.45A0.05Mn1.475Al0.025O4 (A = Mg, Zn, and Cu) cathode materials

Investigation of thermal, structural, vibrational spectroscopic and optical properties of LiNi0.45A0.05Mn1.475Al0.025O4 (A = Mg, Zn, and Cu) cathode materials | 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 Investigation of thermal, structural, vibrational spectroscopic and optical properties of LiNi 0.45 A 0.05 Mn 1.475 Al 0.025 O 4 (A = Mg, Zn, and Cu) cathode materials LULIT BEYENE, Prof. Paulos Taddess, Tekalign Basa, Mehamed Kunta, and 5 more This is a preprint; it has not been peer reviewed by a journal. https://doi.org/ 10.21203/rs.3.rs-7428554/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 spinel LiNi 0.45 A 0.05 Mn 1.475 Al 0.025 O 4 (LNMA) cathode materials doped with Mg, Zn and Cu were synthesized via the solid state route. The thermal, structural, vibrational, and optical properties of LiNi 0.5 Mn 1.475 Al 0.025 O 4 (LNMA), LiNi 0.45 Mg 0.05 Mn 1.475 Al 0.025 O 4 (LNMA-Mg), LiNi0.45Zn0.05Mn1.475Al0.025O4 (LNMA-Zn), and LiNi 0.45 Cu 0.05 Mn 1.475 Al 0.025 O 4 (LNMA-Cu) materials investigated. The X-ray diffraction (XRD) analysis revealed that all the prepared cathode materials exhibited a cubic spinel structure with disordered Fd-3m space group. Doping with Mg, Zn and Cu cations resulted in a more disordered cation distribution in the LNMA lattice, which is beneficial for enhancing electronic conductivity and electrochemical properties. The average crystallite size were found in (44.32 to 47.68 nm). And Rietveld refinement of XRD data confirmed the high crystallinity of the investigated materials. Fourier transform infrared (FTIR) and Raman spectroscopies identified absorption peaks associated with Mn-O and Ni-O bond vibrations, further supporting the cubic spinel structure with a minor P4 3 32 phase. All synthesized cathodes amterials exhibited optical absorption in visible range, as evidenced by luminescence spectroscopy(PL) and Ultraviolet visible spectroscopy(Uv-Visible) spectra. The calculated optical bandgap energies were 1.85, 1.83, 1.78 1nd 1.73 for LNMA, LNMA-Mg, LNMA-Zn and LNMA-Cu, respectively. Materials Engineering Cathode material Solid state route Thermal property Structure Rietveld refinement Optical property Full Text Additional Declarations The authors declare no competing interests. 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-7428554","acceptedTermsAndConditions":true,"allowDirectSubmit":true,"archivedVersions":[],"articleType":"Research Article","associatedPublications":[],"authors":[{"id":503820185,"identity":"eefcfcfc-d77b-4c77-a082-4c8cb593f462","order_by":0,"name":"LULIT BEYENE","email":"data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAZAAAAAyAQMAAABI0h/eAAAABlBMVEX///8AAABVwtN+AAAACXBIWXMAAA7EAAAOxAGVKw4bAAAA7ElEQVRIiWNgGAWjYBACPgbmhgMMDAcgvA9AzMZOQAsbA2PDgQNQLYwzQCLMRGhhgGlh5gGThLRIJDYe/sBwR87geO/Bxza/tsnzMTMwfviYg1cLyGHPjA3OnEs2zu27bdjGzMAsOXMbQS2HEzfcyDGTzu25zQjUwsbMS4SW+g3335j/tuy5bU+0lgSDGzxmzAw/bicS1sLzsOHAGYNnhjPP5BhL9jbcTm5jZmzG6xd+9uTDHyoq7sjzHT9j+OHHn9u289ubD374iEcLBBgwMCgcANKMbSAeMKaIAvJgdX+IUzwKRsEoGAUjCwAA3tlXq5enYBYAAAAASUVORK5CYII=","orcid":"https://orcid.org/0009-0001-3751-3462","institution":"Arba Minch University","correspondingAuthor":true,"prefix":"","firstName":"LULIT","middleName":"","lastName":"BEYENE","suffix":""},{"id":503820753,"identity":"7dd24626-9ab0-46a9-b399-d0be20382e2a","order_by":1,"name":"Prof. Paulos Taddess","email":"","orcid":"https://orcid.org/0000-0002-6978-737X","institution":"Arba Minch University","correspondingAuthor":false,"prefix":"","firstName":"Prof.","middleName":"Paulos","lastName":"Taddess","suffix":""},{"id":503820801,"identity":"682e61b8-500b-40af-be2d-64ee509ff38a","order_by":2,"name":"Tekalign Basa","email":"","orcid":"","institution":"Arba Minch University","correspondingAuthor":false,"prefix":"","firstName":"Tekalign","middleName":"","lastName":"Basa","suffix":""},{"id":503823071,"identity":"d35fce67-8daf-4911-8591-b13e83712fa1","order_by":3,"name":"Mehamed Kunta","email":"","orcid":"","institution":"Arba Minch University","correspondingAuthor":false,"prefix":"","firstName":"Mehamed","middleName":"","lastName":"Kunta","suffix":""},{"id":503824048,"identity":"425e6367-b99a-498c-9fd2-3ad70d37cf58","order_by":4,"name":"Jiexi Wang","email":"","orcid":"","institution":"Central South University","correspondingAuthor":false,"prefix":"","firstName":"Jiexi","middleName":"","lastName":"Wang","suffix":""},{"id":503824049,"identity":"35f5dee8-9530-4ddf-8561-405aa62789df","order_by":5,"name":"Neeta Raj Sharma","email":"","orcid":"","institution":"Lovely Professional University","correspondingAuthor":false,"prefix":"","firstName":"Neeta","middleName":"Raj","lastName":"Sharma","suffix":""},{"id":503824050,"identity":"5d304587-678e-49a9-baf0-e679b3b55509","order_by":6,"name":"Mohammed Hashim","email":"","orcid":"","institution":"Aligarh Muslim University","correspondingAuthor":false,"prefix":"","firstName":"Mohammed","middleName":"","lastName":"Hashim","suffix":""},{"id":503824051,"identity":"04b21d27-4bee-4a8a-9059-dc931b029ac9","order_by":7,"name":"Baye Zinabe","email":"","orcid":"","institution":"Arba Minch University","correspondingAuthor":false,"prefix":"","firstName":"Baye","middleName":"","lastName":"Zinabe","suffix":""},{"id":503824052,"identity":"89eabedc-762b-49e8-a51f-4d04482257e5","order_by":8,"name":"Belete Tilahun","email":"","orcid":"","institution":"Arba Minch University","correspondingAuthor":false,"prefix":"","firstName":"Belete","middleName":"","lastName":"Tilahun","suffix":""}],"badges":[],"createdAt":"2025-08-21 17:56:40","currentVersionCode":1,"declarations":{"humanSubjects":true,"vertebrateSubjects":true,"conflictsOfInterestStatement":false,"humanSubjectEthicalGuidelines":true,"humanSubjectConsent":true,"humanSubjectClinicalTrial":false,"humanSubjectCaseReport":false,"vertebrateSubjectEthicalGuidelines":true},"doi":"10.21203/rs.3.rs-7428554/v1","doiUrl":"https://doi.org/10.21203/rs.3.rs-7428554/v1","draftVersion":[],"editorialEvents":[],"editorialNote":"","failedWorkflow":false,"files":[{"id":89636946,"identity":"e0c79df5-54eb-45c4-bf91-f8603dc64ca6","added_by":"auto","created_at":"2025-08-22 07:24:57","extension":"pdf","order_by":1,"title":"","display":"","copyAsset":false,"role":"manuscript-pdf","size":1251916,"visible":true,"origin":"","legend":"","description":"","filename":"LULITManuscript2025.pdf","url":"https://assets-eu.researchsquare.com/files/rs-7428554/v1_covered_62d1d8a7-7ad2-47f6-a4e0-bb20154f7b6f.pdf"}],"financialInterests":"The authors declare no competing interests.","formattedTitle":"\u003cp\u003e\u003cstrong\u003eInvestigation of thermal, structural, vibrational spectroscopic and optical properties of LiNi\u003c/strong\u003e\u003csub\u003e\u003cstrong\u003e0.45\u003c/strong\u003e\u003c/sub\u003e\u003cstrong\u003eA\u003c/strong\u003e\u003csub\u003e\u003cstrong\u003e0.05\u003c/strong\u003e\u003c/sub\u003e\u003cstrong\u003eMn\u003c/strong\u003e\u003csub\u003e\u003cstrong\u003e1.475\u003c/strong\u003e\u003c/sub\u003e\u003cstrong\u003eAl\u003c/strong\u003e\u003csub\u003e\u003cstrong\u003e0.025\u003c/strong\u003e\u003c/sub\u003e\u003cstrong\u003eO\u003c/strong\u003e\u003csub\u003e\u003cstrong\u003e4\u003c/strong\u003e\u003c/sub\u003e\u003cstrong\u003e (A = Mg, Zn, and Cu) cathode materials\u003c/strong\u003e\u003c/p\u003e","fulltext":[],"fulltextSource":"","fullText":"","funders":[],"hasAdminPriorityOnWorkflow":false,"hasManuscriptDocX":false,"hasOptedInToPreprint":true,"hasPassedJournalQc":"","hasAnyPriority":true,"hideJournal":true,"highlight":"","institution":"Arba Minch University","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":"Cathode material, Solid state route, Thermal property, Structure, Rietveld refinement, Optical property","lastPublishedDoi":"10.21203/rs.3.rs-7428554/v1","lastPublishedDoiUrl":"https://doi.org/10.21203/rs.3.rs-7428554/v1","license":{"name":"CC BY 4.0","url":"https://creativecommons.org/licenses/by/4.0/"},"manuscriptAbstract":"\u003cp\u003espinel LiNi\u003csub\u003e0.45\u003c/sub\u003eA\u003csub\u003e0.05\u003c/sub\u003eMn\u003csub\u003e1.475\u003c/sub\u003eAl\u003csub\u003e0.025\u003c/sub\u003eO\u003csub\u003e4\u003c/sub\u003e\u003cstrong\u003e \u003c/strong\u003e(LNMA) cathode materials doped with Mg, Zn and Cu were synthesized via the solid state route. The thermal, structural, vibrational, and optical properties of LiNi\u003csub\u003e0.5\u003c/sub\u003eMn\u003csub\u003e1.475\u003c/sub\u003eAl\u003csub\u003e0.025\u003c/sub\u003eO\u003csub\u003e4\u003c/sub\u003e (LNMA), LiNi\u003csub\u003e0.45\u003c/sub\u003eMg\u003csub\u003e0.05\u003c/sub\u003eMn\u003csub\u003e1.475\u003c/sub\u003eAl\u003csub\u003e0.025\u003c/sub\u003eO\u003csub\u003e4\u003c/sub\u003e (LNMA-Mg), LiNi0.45Zn0.05Mn1.475Al0.025O4 (LNMA-Zn), and LiNi\u003csub\u003e0.45\u003c/sub\u003eCu\u003csub\u003e0.05\u003c/sub\u003eMn\u003csub\u003e1.475\u003c/sub\u003eAl\u003csub\u003e0.025\u003c/sub\u003eO\u003csub\u003e4\u003c/sub\u003e (LNMA-Cu) materials investigated. The X-ray diffraction (XRD) analysis revealed that all the prepared cathode materials exhibited a cubic spinel structure with disordered Fd-3m space group. Doping with Mg, Zn and Cu cations resulted in a more disordered cation distribution in the LNMA lattice, which is beneficial for enhancing electronic conductivity and electrochemical properties. The average crystallite size were found in (44.32 to 47.68 nm). And Rietveld refinement of XRD data confirmed the high crystallinity of the investigated materials. Fourier transform infrared (FTIR) and Raman spectroscopies identified absorption peaks associated with Mn-O and Ni-O bond vibrations, further supporting the cubic spinel structure with a minor P4\u003csub\u003e3\u003c/sub\u003e32 phase. All synthesized cathodes amterials exhibited optical absorption in visible range, as evidenced by luminescence spectroscopy(PL) and Ultraviolet visible spectroscopy(Uv-Visible) spectra. The calculated optical bandgap energies were\u0026nbsp; 1.85, 1.83, 1.78 1nd 1.73 for LNMA, LNMA-Mg, LNMA-Zn and LNMA-Cu, respectively.\u003c/p\u003e","manuscriptTitle":"Investigation of thermal, structural, vibrational spectroscopic and optical properties of LiNi0.45A0.05Mn1.475Al0.025O4 (A = Mg, Zn, and Cu) cathode materials","msid":"","msnumber":"","nonDraftVersions":[{"code":1,"date":"2025-08-22 06:52:50","doi":"10.21203/rs.3.rs-7428554/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":"fdea4fd7-137c-4a66-9932-8bc9a5c7a7bc","owner":[],"postedDate":"August 22nd, 2025","published":true,"recentEditorialEvents":[],"rejectedJournal":[],"revision":"","amendment":"","status":"posted","subjectAreas":[{"id":53549104,"name":"Materials Engineering"}],"tags":[],"updatedAt":"2025-08-22T06:52:51+00:00","versionOfRecord":[],"versionCreatedAt":"2025-08-22 06:52:50","video":"","vorDoi":"","vorDoiUrl":"","workflowStages":[]},"version":"v1","identity":"rs-7428554","journalConfig":"researchsquare"},"__N_SSP":true},"page":"/article/[identity]/[[...version]]","query":{"redirect":"/article/rs-7428554","identity":"rs-7428554","version":["v1"]},"buildId":"8U1c8b4HqxoKbykW_rLl7","isFallback":false,"isExperimentalCompile":false,"dynamicIds":[84888],"gssp":true,"scriptLoader":[]}