Copper-Induced Phase Transitions in NaMn1-xCuxO2: Structural Insights from Operando XAS, DFT Calculations, and Electrochemical Evaluation Using Laurus Nobilis-Derived Hard Carbon

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dc.contributor.authorWhba, Rawdah
dc.contributor.authorDogan, Ebru
dc.contributor.authorHarfouche, Messaoud
dc.contributor.authorOzturk, Zeynep Reyhan
dc.contributor.authorFarhan, Ahlam
dc.contributor.authorIpek, Semran
dc.contributor.authorCorut, Sumeyye
dc.date.accessioned2026-04-04T13:37:45Z
dc.date.available2026-04-04T13:37:45Z
dc.date.issued2026
dc.departmentİnönü Üniversitesi
dc.description.abstractThis study investigates the effect of Cu2+ doping on NaMn1- xCuxO2 layered cathodes. It also explores their integration with Laurus nobilis-derived hard carbon (HC) anodes for sodium-ion batteries (SIBs). Cu doping, particularly at x = 0.20, stabilizes the beta-NaMnO2 phase, suppresses Jahn-Teller distortions, and improves the structural stability of the MnO2 framework. In situ X-ray absorption spectroscopy (XAS) and density functional theory (DFT) calculations confirm that Cu improved Na+ diffusion kinetics and reduces charge-transfer resistance, despite its electrochemical inactivity. X-ray Difraction (XRD), Raman, and Fourier transform infrared spectroscopy (FTIR) analyses reveal phase destabilization and segregation at higher Cu concentrations, while XPS indicates shifts in the Mn/Cu oxidation states, consistent with improved electronic conductivity and multivalent redox behavior. The scanning electron microscope (SEM and transmission electron microscopy (TEM) images demonstrate Cu-induced morphological transitions toward denser, more crystalline structures. Brunauer-Emmett-Teller (BET) measurements reveal that the L. nobilis-derived hard carbon (HC) anode possesses a high surface area and hierarchical porosity, which facilitated efficient Na + storage and rapid ion transport. Full-cell tests demonstrate high reversible capacity (approximate to 126 mAh g-1), excellent rate capability, and 56% capacity retention over 250 cycles. This work demonstrates that Cu doping and porous HC anodes synergistically enhance the structural and electrochemical performance of SIBs, thereby providing a sustainable strategy for advanced energy storage.
dc.description.sponsorshipSESAME
dc.description.sponsorshipThe authors gratefully acknowledge the financial support provided by TUBITAK under project no. 123M238. The authors extend our sincere thanks to PAKATES Electroporselen Inc. (https://www.pakates.com/) for their generous provision of the high-temperature furnace equipment, which played a vital role in this research. The authors also acknowledge the valuable computational resources and support offered by the TUBITAK ULAKBIM High Performance and Grid Computing Center (TRUBA). Special thanks are due to the SESAME facility in Jordan for enabling the operando XAFS analysis at the BM08-XAFS/XRF Beamline under proposal numbers 20240075 and 20240056. The authors also thank TENMAK for financial support during the experiment at SESAME.
dc.identifier.doi10.1002/adsu.202500678
dc.identifier.issn2366-7486
dc.identifier.issue1
dc.identifier.orcid0000-0001-8009-5158
dc.identifier.orcid0009-0005-6858-8060
dc.identifier.orcid0000-0003-3056-7684
dc.identifier.scopus2-s2.0-105015174968
dc.identifier.scopusqualityN/A
dc.identifier.urihttps://doi.org/10.1002/adsu.202500678
dc.identifier.urihttps://hdl.handle.net/11616/110021
dc.identifier.volume10
dc.identifier.wosWOS:001562672900001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherWiley-V C H Verlag Gmbh
dc.relation.ispartofAdvanced Sustainable Systems
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250329
dc.subjectbiomass
dc.subjectelectrochemical performance
dc.subjectlaurus nobilis leaves
dc.subjectNaMnO2
dc.subjectphase transition
dc.subjectstructure characteristics
dc.titleCopper-Induced Phase Transitions in NaMn1-xCuxO2: Structural Insights from Operando XAS, DFT Calculations, and Electrochemical Evaluation Using Laurus Nobilis-Derived Hard Carbon
dc.typeArticle

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