Influence of iron doping on α-NaMnO2 lattice symmetry: Insight from operando X-ray absorption, ex-situ structural analysis, and electrochemical performance using chestnut shell-derived hard carbon

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dc.contributor.authorDogan, Ebru
dc.contributor.authorMaiga, Abdulhadi
dc.contributor.authorWhba, Rawdah
dc.contributor.authorHarfouche, Messaoud
dc.contributor.authorOzturk, Zeynep Reyhan
dc.contributor.authorFarhan, Ahlam
dc.contributor.authorAltin, Emine
dc.date.accessioned2026-04-04T13:34:59Z
dc.date.available2026-04-04T13:34:59Z
dc.date.issued2026
dc.departmentİnönü Üniversitesi
dc.description.abstractThe structural instability and moderate electrochemical performance of NaMnO2 cathodes limit the use of sodium-ion batteries (SIBs). This limitation is primarily due to lattice distortions and valence variations that occur during the cycling process. To address this limitation, NaMn(1-x)FexO(2) (0.00 <= x <= 0.50) powders were synthesized using a conventional solid-state method. Their structural and electrochemical properties were systematically investigated through a combination of structural characterization, in situ X-ray absorption spectroscopy, and computational modeling. X-ray diffraction and Rietveld refinement reveal a contraction of the beta-angle from 112 degrees to 105 degrees, indicative of a phase transition from alpha to alpha', with the x = 0.5 composition stabilizing as a single-phase alpha' structure. Fe incorporation reduces the average Mn valence from 3.23+ to 3.18+, thereby enhancing structural stability, as corroborated by electron diffraction and density functional theory (DFT) calculations. At the same time, hard carbon (HC) derived from chestnut shells was developed as a sustainable anode material, exhibiting a disordered framework favorable for Na+ storage. Electrochemical evaluation demonstrates that the x = 0.5 cathode delivers an initial half-cell capacity of 130.2 mAh/g, which declines to 77.1 mAh/g upon cycling. In contrast, the optimized electrode configuration affords improved stability. The HC anode attains a high reversible capacity of 317.3 mAh/g. Full-cell assemblies incorporating pre-sodiated HC anodes exhibit promising performance, underscoring the potential of this dual-material approach for developing high-performance, sustainable SIBs.
dc.description.sponsorshipInonu University [FBG-2023-3272]; TUBITAK ULAKBIM High Performance and Grid Computing Center (TRUBA); Istanbul Technical University's National Center for High Performance Computing (ITU-UHEM)
dc.description.sponsorshipThe authors gratefully acknowledge the financial support provided by Inonu University under project number FBG-2023-3272. Additionally, we extend our sincere thanks to PAK ATES Elektroporselen Inc. (https://www.pakates.com/) for their generous provision of high-temperature furnace equipment, which played a vital role in this research. We also acknowledge the valuable computational resources and support offered by the TUBITAK ULAKBIM High Performance and Grid Computing Center (TRUBA) and Istanbul Technical University's National Center for High Performance Computing (ITU-UHEM). Special thanks are due to the SESAME facility in Jordan for enabling the operando XAFS analysis at the BM08-XAFS/XRF Beamline. The authors further thank TENMAK for their financial support during the experiment and the use of the TXPES (Turkish X-ray Photoelectron Spectroscopy) end station at SESAME to perform the XPS measurements.
dc.identifier.doi10.1016/j.jpowsour.2025.238602
dc.identifier.issn0378-7753
dc.identifier.issn1873-2755
dc.identifier.orcid0009-0005-6858-8060
dc.identifier.orcid0000-0002-4786-897X
dc.identifier.orcid0000-0001-8009-5158
dc.identifier.orcid0000-0001-8646-0363
dc.identifier.orcid0000-0003-4103-9510
dc.identifier.scopus2-s2.0-105019956305
dc.identifier.scopusqualityQ1
dc.identifier.urihttps://doi.org/10.1016/j.jpowsour.2025.238602
dc.identifier.urihttps://hdl.handle.net/11616/109513
dc.identifier.volume661
dc.identifier.wosWOS:001612023300006
dc.identifier.wosqualityQ1
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherElsevier
dc.relation.ispartofJournal of Power Sources
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250329
dc.subjectNa-ion battery
dc.subjectCathode materials
dc.subjectNaMnO2
dc.subjectFe-doping
dc.subjectStructural properties
dc.subjectElectrochemical performance
dc.titleInfluence of iron doping on α-NaMnO2 lattice symmetry: Insight from operando X-ray absorption, ex-situ structural analysis, and electrochemical performance using chestnut shell-derived hard carbon
dc.typeArticle

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