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http://hdl.handle.net/10261/347166
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Campo DC | Valor | Lengua/Idioma |
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dc.contributor.author | Martinez-Martinez, Ana | es_ES |
dc.contributor.author | Resines-Urien, Esther | es_ES |
dc.contributor.author | Piñeiro-López, Lucía | es_ES |
dc.contributor.author | Fernández-Blanco, Angel | es_ES |
dc.contributor.author | Lorenzo Mariano, Antonio | es_ES |
dc.contributor.author | Albalad, Jorge | es_ES |
dc.contributor.author | Maspoch, Daniel | es_ES |
dc.contributor.author | Poloni, Roberta | es_ES |
dc.contributor.author | Rodríguez-Velamazán, J. A. | es_ES |
dc.contributor.author | Carolina Sañudo, E. | es_ES |
dc.contributor.author | Burzurí, Enrique | es_ES |
dc.contributor.author | Sánchez Costa, José | es_ES |
dc.date.accessioned | 2024-02-15T08:23:30Z | - |
dc.date.available | 2024-02-15T08:23:30Z | - |
dc.date.issued | 2023 | - |
dc.identifier.citation | Chemistry of Materials 35(15): 6012-6023 (2023) | es_ES |
dc.identifier.uri | http://hdl.handle.net/10261/347166 | - |
dc.description.abstract | Molecule-based spin crossover (SCO) materials display likely one of the most spectacular switchable processes. The SCO involves reversible changes in their physicochemical properties (i.e. optical, magnetic, electronic, and elastic) that are coupled with the spin-state change under an external perturbation (i.e. temperature, light, magnetic field, or the inclusion/release of analytes). Although very promising for their future integration into electronic devices, most SCO compounds show two major drawbacks: (i) their intrinsic low conductance and (ii) the unclear mechanism connecting the spin-state change and the electrical conductivity. Herein, we report the controlled single-crystal-to-single-crystal temperature-induced transformation in a robust metal–organic framework, [Fe2(H0.67bdt)3]·9H2O (1), being bdt2– = 1,4-benzeneditetrazolate, exhibiting a dynamic spin-state change concomitant with an increment in the anisotropic electrical conductance. Compound 1 remains intact during the SCO process even after approximately a 15% volume reduction. The experimental findings are rationalized by analyzing the electronic delocalization of the frontier states by means of density-functional theory calculations. The results point to a correlation between the spin-state of the iron and the electronic conductivity of the 3D structure. In addition, the reversibility of the process is proved. | es_ES |
dc.description.sponsorship | J.S.C. thanks funds from the Spanish MICINN through National Research Project (AIRE PID2019-111479GB-I00), the Ramon y Cajal Research program (RYC-2014-16866), the Comunidad de Madrid (PEJD-2017-PRE/IND-4037), and the NANOMAGCOST (P2018/NMT-4321). These experiments were performed at XALOC beamline at ALBA Synchrotron (2021095337) with the collaboration of ALBA staff. IMDEA Nanociencia acknowledges support from the “Severo Ochoa” Programme for Centres of Excellence in R&D (MINECO, Grant SEV-2016-0686). We thank the Institut Laue-Langevin for the PhD contract of A.F.-B. and for the use of the characterization laboratories and X-ray diffraction facilities. E.C.S. acknowledges the financial support from the Spanish Government, (Grant PGC2018-098630-B-I00). E.B. acknowledges funds from Ministerio de Ciencia e Innovación in Spain (RTI2018-096075-A-C22, RYC2019-028429-I). Calculations were performed using resources granted by GENCI under the CINES and TGCC grant numbers A0110907211. Additionally, the froggy and Dahu platform of the CIMENT infrastructure, which is supported by the Rhone-Alpes region (GRANT CPER07 13 CIRA) and the Equip@Meso project, was employed for the calculations. | es_ES |
dc.format | application/pdf | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | American Chemical Society | es_ES |
dc.relation | info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PID2019-111479GB-I00/ES/ARQUITECTURAS CONMUTABLES AVANZADAS PARA DETECCION MOLECULAR/ | es_ES |
dc.relation | info:eu-repo/grantAgreement/MINECO//RYC-2014-16866/ES/RYC-2014-16866/ | es_ES |
dc.relation | PEJD-2017/IND-4037/PRE | es_ES |
dc.relation | P2018/NMT-4321/NANOMAGCOST | es_ES |
dc.relation.isversionof | Postprint | es_ES |
dc.relation.isbasedon | The underlying dataset has been published as supplementary material of the article in the publisher platform at DOI 10.1021/acs.chemmater.3c01049 | es_ES |
dc.rights | openAccess | es_ES |
dc.title | Spin crossover-assisted modulation of electron transport in a single-crystal 3D metal-organic framework | es_ES |
dc.type | artículo | es_ES |
dc.identifier.doi | 10.1021/acs.chemmater.3c01049 | - |
dc.description.peerreviewed | Peer reviewed | es_ES |
dc.relation.publisherversion | https://doi.org/10.1021/acs.chemmater.3c01049 | es_ES |
dc.identifier.e-issn | 1520-5002 | - |
dc.contributor.funder | Ministerio de Ciencia, Innovación y Universidades (España) | es_ES |
dc.contributor.funder | Agencia Estatal de Investigación (España) | es_ES |
dc.contributor.funder | Ministerio de Economía y Competitividad (España) | es_ES |
dc.contributor.funder | Ministerio de Ciencia e Innovación (España) | es_ES |
dc.contributor.funder | Comunidad de Madrid | es_ES |
dc.contributor.funder | Conseil Régional Provence-Alpes-Côte d'Azur | es_ES |
dc.relation.csic | Sí | es_ES |
oprm.item.hasRevision | no ko 0 false | * |
dc.identifier.funder | http://dx.doi.org/10.13039/501100011033 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/100012818 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100010076 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100004837 | es_ES |
dc.identifier.funder | http://dx.doi.org/10.13039/501100003329 | es_ES |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.grantfulltext | open | - |
item.fulltext | With Fulltext | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
item.languageiso639-1 | en | - |
item.cerifentitytype | Publications | - |
item.openairetype | artículo | - |
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