161066 20260112133143.0 doi 10.1039/d5dt00893j sideral 144266 ART-2025-144266 eng Ciria-Ramos, Isabel Universidad de Zaragoza <i>Operando</i> Raman and <i>ex situ</i> characterization of an iron-based conductive MOF as a negative electrode in Li-ion batteries 2025 Access copy available to the general public Unrestricted An iron-based electrically conductive metal–organic framework (MOF), Fe-HHTP, formed by the coordination of Fe cations and the organic ligand HHTP (2,3,6,7,10,11-hexahydroxytriphenylene), has been synthesized, characterized, and explored as a potential negative electrode for lithium-ion batteries (LIBs). Galvanostatic cycling experiments, with a lower cut-off voltage of 0.1 V vs. Li/Li+, reveal that Fe-HHTP undergoes a significant activation process, resulting in an increase in specific capacity up to 1142 mAh g−1 after ∼220 cycles at a current of 355 mA g−1. Operando Raman spectroscopy during the first lithiation, complemented by ex situ techniques at different cycling stages, demonstrates that both the organic ligands and metal centers actively contribute to Li+ storage. Initially, lithiation occurs primarily at the MOF boundaries, while continuous cycling induces a structural transformation that allows greater accessibility to the inner regions of Fe-HHTP. These results provide a better understanding of the electrochemical and structural behavior of pristine MOFs that allow tailoring their properties for direct application in energy storage devices without the need for high-temperature processes. info:eu-repo/grantAgreement/ES/DGA/E31-23R info:eu-repo/grantAgreement/ES/MCIU/CPP2022-009766 info:eu-repo/grantAgreement/ES/MCIU/PID2022-140516OB-I00 info:eu-repo/grantAgreement/ES/MICIU/CEX2023-001286-S info:eu-repo/grantAgreement/ES/MICIU/CNS2023-14197 info:eu-repo/semantics/openAccess by-nc https://creativecommons.org/licenses/by-nc/4.0/deed.es info:eu-repo/semantics/article info:eu-repo/semantics/publishedVersion Neale, Alex R. Hardwick, Laurence J. Juarez-Perez, Emilio J. (orcid)0000-0001-6040-1920 Gascón, Ignacio Universidad de Zaragoza (orcid)0000-0002-3492-6456 Haro, Marta Universidad de Zaragoza (orcid)0000-0001-7246-2149 2012 755 Universidad de Zaragoza Dpto. Química Física Área Química Física (2025), [12 pp.] Dalton Trans. Dalton Transactions 1477-9226 2278886 http://zaguan.unizar.es/record/161066/files/texto_completo.pdf Versión publicada 2747973 http://zaguan.unizar.es/record/161066/files/texto_completo.jpg?subformat=icon icon Versión publicada oai:zaguan.unizar.es:161066 articulos driver 2026-01-12-12:35:59 ARTICLE