000161066 001__ 161066
000161066 005__ 20251017144612.0
000161066 0247_ $$2doi$$a10.1039/d5dt00893j
000161066 0248_ $$2sideral$$a144266
000161066 037__ $$aART-2025-144266
000161066 041__ $$aeng
000161066 100__ $$aCiria-Ramos, Isabel$$uUniversidad de Zaragoza
000161066 245__ $$a<i>Operando</i> Raman and <i>ex situ</i> characterization of an iron-based conductive MOF as a negative electrode in Li-ion batteries
000161066 260__ $$c2025
000161066 5060_ $$aAccess copy available to the general public$$fUnrestricted
000161066 5203_ $$aAn iron-based electrically conductive metal–organic framework (MOF), Fe-HHTP, formed by the coordination of Fe cations and the organic ligand HHTP (2,3,6,7,10,11-hexahydroxytriphenylene), has been synthesized, characterized, and explored as a potential negative electrode for lithium-ion batteries (LIBs). Galvanostatic cycling experiments, with a lower cut-off voltage of 0.1 V vs. Li/Li+, reveal that Fe-HHTP undergoes a significant activation process, resulting in an increase in specific capacity up to 1142 mAh g−1 after ∼220 cycles at a current of 355 mA g−1. Operando Raman spectroscopy during the first lithiation, complemented by ex situ techniques at different cycling stages, demonstrates that both the organic ligands and metal centers actively contribute to Li+ storage. Initially, lithiation occurs primarily at the MOF boundaries, while continuous cycling induces a structural transformation that allows greater accessibility to the inner regions of Fe-HHTP. These results provide a better understanding of the electrochemical and structural behavior of pristine MOFs that allow tailoring their properties for direct application in energy storage devices without the need for high-temperature processes.
000161066 536__ $$9info:eu-repo/grantAgreement/ES/DGA/E31-23R$$9info:eu-repo/grantAgreement/ES/MCIU/CNS2023-14197$$9info:eu-repo/grantAgreement/ES/MCIU/CPP2022-009766$$9info:eu-repo/grantAgreement/ES/MCIU/PID2022-140516OB-I00$$9info:eu-repo/grantAgreement/ES/MICIU/CEX2023-001286-S
000161066 540__ $$9info:eu-repo/semantics/openAccess$$aby-nc$$uhttps://creativecommons.org/licenses/by-nc/4.0/deed.es
000161066 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000161066 700__ $$aNeale, Alex R.
000161066 700__ $$aHardwick, Laurence J.
000161066 700__ $$0(orcid)0000-0001-6040-1920$$aJuarez-Perez, Emilio J.
000161066 700__ $$0(orcid)0000-0002-3492-6456$$aGascón, Ignacio$$uUniversidad de Zaragoza
000161066 700__ $$0(orcid)0000-0001-7246-2149$$aHaro, Marta$$uUniversidad de Zaragoza
000161066 7102_ $$12012$$2755$$aUniversidad de Zaragoza$$bDpto. Química Física$$cÁrea Química Física
000161066 773__ $$g(2025), [12 pp.]$$pDalton Trans.$$tDalton Transactions$$x1477-9226
000161066 8564_ $$s2278886$$uhttps://zaguan.unizar.es/record/161066/files/texto_completo.pdf$$yVersión publicada
000161066 8564_ $$s2747973$$uhttps://zaguan.unizar.es/record/161066/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000161066 909CO $$ooai:zaguan.unizar.es:161066$$particulos$$pdriver
000161066 951__ $$a2025-10-17-14:17:56
000161066 980__ $$aARTICLE