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Mechanism of Iron Integration into LiMn1.5Ni0.5O4for the Electrocatalytic Oxygen Evolution Reaction

dc.contributor.authorAhmed, Imtiaz
dc.contributor.authorBiswas, Rathindranath
dc.contributor.authorDastider, Saptarshi Ghosh
dc.contributor.authorSingh, Harjinder
dc.contributor.authorMete, Shouvik
dc.contributor.authorPatil, Ranjit A.
dc.contributor.authorSaha, Monochura
dc.contributor.authorYadav, Ashok Kumar
dc.contributor.authorJha, Sambhu Nath
dc.contributor.authorMondal, Krishnakanta
dc.contributor.authorSingh, Harishchandra
dc.contributor.authorMa, Yuan-Ron
dc.contributor.authorHaldar, Krishna Kanta
dc.date.accessioned2024-01-21T10:33:03Z
dc.date.available2024-01-21T10:33:03Z
dc.date.issued2022-09-14T00:00:00
dc.identifier.issn8870624
dc.identifier.urihttp://kr.cup.edu.in/handle/32116/3252
dc.description.abstractSpinel-type LiMn1.5Ni0.5O4 has been paid temendrous consideration as an electrode material because of its low cost, high voltage, and stabilized electrochemical performance. Here, we demonstrate the mechanism of iron (Fe) integration into LiMn1.5Ni0.5O4 via solution methods followed by calcination at a high temparature, as an efficient electrocatalyst for water splitting. Various microscopic and structural characterizations of the crystal structure affirmed the integration of Fe into the LiMn1.5Ni0.5O4 lattice and the constitution of the cubic LiMn1.38Fe0.12Ni0.5O4 crystal. Local structure analysis around Fe by extended X-ray absorption fine structure (EXAFS) showed Fe3+ ions in a six-coordinated octahedral environment, demonstrating incorporation of Fe as a substitute at the Mn site in the LiMn1.5Ni0.5O4 host. EXAFS also confirmed that the perfectly ordered LiMn1.5Ni0.5O4 spinel structure becomes disturbed by the fractional cationic substitution and also stabilizes the LiMn1.5Ni0.5O4 structure with structural disorder of the Ni2+ and Mn4+ ions in the 16d octahedral sites by Fe2+ and Fe3+ ions. However, we have found that Mn3+ ion production from the redox reaction between Mn4+ and Fe2+ influences the electronic conductivity significantly, resulting in improved electrochemical oxygen evolution reaction (OER) activity for the LiMn1.38Fe0.12Ni0.5O4 structure. Surface-enhanced Fe in LiMn1.38Fe0.12Ni0.5O4 serves as the electrocatalytic active site for OER, which was verified by the density functional theory study. � 2022 American Chemical Society.en_US
dc.language.isoen_USen_US
dc.publisherAmerican Chemical Societyen_US
dc.subjectCrystal structureen_US
dc.subjectDensity functional theoryen_US
dc.subjectElectrocatalystsen_US
dc.subjectExtended X ray absorption fine structure spectroscopyen_US
dc.subjectIntegrationen_US
dc.subjectIonsen_US
dc.subjectIronen_US
dc.subjectLithium compoundsen_US
dc.subjectManganese compoundsen_US
dc.subjectNickel compoundsen_US
dc.subjectOxygenen_US
dc.subjectX ray absorptionen_US
dc.subjectElectrocatalyticen_US
dc.subjectElectrochemical performanceen_US
dc.subjectElectrode materialen_US
dc.subjectExtended X-ray absorption fine structuresen_US
dc.subjectFe3+ ionsen_US
dc.subjectHigh-voltagesen_US
dc.subjectLow-costsen_US
dc.subjectSolution methodsen_US
dc.subjectSpinel-typeen_US
dc.subjectWater splittingen_US
dc.subjectRedox reactionsen_US
dc.titleMechanism of Iron Integration into LiMn1.5Ni0.5O4for the Electrocatalytic Oxygen Evolution Reactionen_US
dc.typeArticleen_US
dc.identifier.doi10.1021/acs.energyfuels.2c02447
dc.identifier.urlhttps://pubs.acs.org/doi/10.1021/acs.energyfuels.2c02447
dc.title.journalEnergy and Fuelsen_US
dc.type.accesstypeClosed Accessen_US


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