Determination of the Conformational Preference of <i>para</i>-Aminobenzoic Acid on Vanadium Pentoxide Surface: An XPS and DFT Study

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dc.contributor.authorDietrich, Fabian
dc.contributor.authorFernandez, Juan
dc.contributor.authorHevia, Samuel
dc.contributor.authorCisternas, Eduardo
dc.contributor.authorFlores, Marcos
dc.date.accessioned2025-01-20T22:07:48Z
dc.date.available2025-01-20T22:07:48Z
dc.date.issued2021
dc.description.abstractSelf-assembled monolayers are a promising opportunity to control the electrochemical reactions taking place on electrodes of lithium-ion batteries. Such control is relevant to diminish the aging process and to improve the performance of these energy storage devices. From this point of view, the adsorption of para-aminobenzoic acid on vanadium pentoxide, an attractive high-capacity cathode material, is investigated with the combination of experimental angle-resolved X-ray photoelectron spectroscopy as well as dispersion-corrected density functional calculations. Our results show that the molecules prefer a lyingdown or up-standing configuration depending on their concentration. The comparison between experiment and simulation indicates a high coverage of the surface and hence the formation of a self-assembled monolayer of up-standing molecules.
dc.fuente.origenWOS
dc.identifier.doi10.1021/acs.jpcc.1c01774
dc.identifier.eissn1932-7455
dc.identifier.issn1932-7447
dc.identifier.urihttps://doi.org/10.1021/acs.jpcc.1c01774
dc.identifier.urihttps://repositorio.uc.cl/handle/11534/94260
dc.identifier.wosidWOS:000702017100030
dc.issue.numero37
dc.language.isoen
dc.pagina.final20459
dc.pagina.inicio20450
dc.revistaJournal of physical chemistry c
dc.rightsacceso restringido
dc.subject.ods11 Sustainable Cities and Communities
dc.subject.odspa11 Ciudades y comunidades sostenibles
dc.titleDetermination of the Conformational Preference of <i>para</i>-Aminobenzoic Acid on Vanadium Pentoxide Surface: An XPS and DFT Study
dc.typeartículo
dc.volumen125
sipa.indexWOS
sipa.trazabilidadWOS;2025-01-12
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