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dc.contributor.authorBartolomé, Elenaes_ES
dc.contributor.authorBartolomé, Juanes_ES
dc.contributor.authorSedona, Francescoes_ES
dc.contributor.authorLobo-Checa, Jorgees_ES
dc.contributor.authorForrer, D.es_ES
dc.contributor.authorHerrero-Albillos, Juliaes_ES
dc.contributor.authorPiantek, Martenes_ES
dc.contributor.authorHerrero Martín, Javieres_ES
dc.contributor.authorBetto, D.es_ES
dc.contributor.authorVelez-Fort, E.es_ES
dc.contributor.authorGarcía, L. M.es_ES
dc.contributor.authorPanighel, Mirkoes_ES
dc.contributor.authorMugarza, Aitores_ES
dc.contributor.authorSambi, Mauroes_ES
dc.contributor.authorBartolomé, Fernandoes_ES
dc.date.accessioned2020-08-27T11:50:40Z-
dc.date.available2020-08-27T11:50:40Z-
dc.date.issued2020-
dc.identifier.citationJournal of Physical Chemistry C 124(25): 13993–14006 (2020)es_ES
dc.identifier.issn1932-7447-
dc.identifier.urihttp://hdl.handle.net/10261/218762-
dc.description.abstractIron phthalocyanines (FePc) adsorbed onto a Ag(110) substrate self-assemble into different monolayer phases going from rectangular to different oblique phases, with increasing molecular density. We have investigated the oxygen uptake capability of the different phases and their associated magneto-structural changes. Our study combines scanning tunneling microscopy and spectroscopy (STM/STS), X-ray magnetic circular dichroism (XMCD), and density functional theory (DFT) calculations. STM measurements reveal that the oxygenation reaction of the FePc/Ag(110) generally involves a displacement and a rotation of the molecules, which affects the electronic state of the Fe centers. The oxygen intercalation between FePc and the substrate is greatly obstructed by the steric hindrance in the high-density phases, to the point that a fraction of oblique phase molecules cannot change their position after oxidizing. Depending on the oxidation state and adsoption geometry, the STS spectra show clear differences in the Fe local density of states, which are mirrored in the XAS and XMCD experiments. Particularly, XMCD spectra of the oxidized phases reflect the distribution of FePc species (nonoxygenated, oxygenated-rotated, and oxygenated-unrotated) in the different cases. Sum rule analysis yields the effective spin (mseff) and orbital (mL) magnetic moments of Fe in the different FePc species. Upon oxygenation, the magnetic moment of FePc molecules increases about an order of magnitude, reaching mTOT ∼ 2.2 μB per Fe atom.es_ES
dc.description.sponsorshipWe acknowledge financial support from the Spanish MCINN Project (DWARFS MAT2017-83468-R) and the Aragonese Projects E12-17R RASMIA and E09-17R Q-MAD (co-funded by Fondo Social Europeo), and of the European Union FEDER (ES); from the University of Padova Grant CPDA154322 AMNES, and from the European Regional Development Fund (ERDF) under the program Interreg V-A España-Francia-Andorra (Contract EFA 194/16 TNSI). M.P. and A.M. are funded by the CERCA Program/Generalitat de Catalunya and the Severo Ochoa program from Spanish MINECO (Grant SEV-2017-0706).es_ES
dc.language.isoenges_ES
dc.publisherAmerican Chemical Societyes_ES
dc.relationMAT2017-83468-R/AEI/10.13039/501100011033es_ES
dc.relationMICIU/ICTI2017-2020/MAT2017-83468-Res_ES
dc.relationSEV-2017-0706/AEI/10.13039/501100011033es_ES
dc.relationMICIU/ICTI2017-2020/SEV-2017-0706es_ES
dc.rightsclosedAccesses_ES
dc.titleEnhanced magnetism through oxygenation of FePc/Ag(110) monolayer phaseses_ES
dc.typeartículoes_ES
dc.identifier.doi10.1021/acs.jpcc.0c01988-
dc.description.peerreviewedPeer reviewedes_ES
dc.relation.publisherversionhttps://doi.org/10.1021/acs.jpcc.0c01988es_ES
dc.identifier.e-issn1932-7455-
dc.contributor.funderMinisterio de Ciencia, Innovación y Universidades (España)es_ES
dc.contributor.funderAgencia Estatal de Investigación (España)es_ES
dc.contributor.funderEuropean Commissiones_ES
dc.contributor.funderUniversità degli Studi di Padovaes_ES
dc.contributor.funderInterreg POCTEFAes_ES
dc.contributor.funderGeneralitat de Catalunyaes_ES
dc.contributor.funderGobierno de Aragónes_ES
dc.relation.csices_ES
oprm.item.hasRevisionno ko 0 false*
dc.identifier.funderhttp://dx.doi.org/10.13039/501100000780es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100002809es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100010067es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/100013276es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100003500es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100011033es_ES
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