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dc.contributor.author
Sanchis Gual, Roger
dc.contributor.author
Jaramillo Hernández, Camilo
dc.contributor.author
Hunt, Diego
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Seijas Da Silva, Álvaro
dc.contributor.author
Mizrahi, Martin Daniel
dc.contributor.author
Marini, Carlo
dc.contributor.author
Oestreicher, Víctor Santiago Jesús
dc.contributor.author
Abellán, Gonzalo
dc.date.available
2024-03-25T13:49:09Z
dc.date.issued
2023-11
dc.identifier.citation
Sanchis Gual, Roger; Jaramillo Hernández, Camilo; Hunt, Diego; Seijas Da Silva, Álvaro; Mizrahi, Martin Daniel; et al.; Influence of Crystallographic Structure and Metal Vacancies on the Oxygen Evolution Reaction Performance of Ni-based Layered Hydroxides; John Wiley & Sons; Chemistry - A European Journal; 30; 5; 11-2023; 1-12
dc.identifier.issn
1521-3765
dc.identifier.uri
http://hdl.handle.net/11336/231468
dc.description.abstract
Nickel-based layered hydroxides (LHs) are a family of efficientelectrocatalysts for the alkaline oxygen evolution reaction (OER).Nevertheless, fundamental aspects such as the influence of thecrystalline structure and the role of lattice distortion of thecatalytic sites remain poorly understood and typically muddled.Herein, we carried out a comprehensive investigation on ɑ-LH, β-LHand layered double hydroxide (LDH) phases by means of structural,spectroscopical, in-silico and electrochemical studies, whichsuggest the key aspect exerted by Ni-vacancies in the ɑ-LHstructure. Density functional theory (DFT) calculations and X-rayabsorption spectroscopy (XAS) confirm that the presence ofNi-vacancies produces acute distortions of the electroactive Ni sites(reflected as the shortening of the Ni−O distances and changes inthe O−Ni−O angles), triggering the appearance of Ni localisedelectronic states on the Fermi level, reducing the Egap, andconsequently, increasing the reactivity of the electroactive sites inthe ɑ-LH structure. Furthermore, post-mortem Raman and XASmeasurements unveil its transformation into a highly reactiveoxyhydroxide-like phase that remains stable under ambient conditions.Hence, this work pinpoints the critical role of the crystallinestructure as well as the electronic properties of LH structures ontheir inherent electrochemical reactivity towards OER catalysis. Weenvision Ni-based ɑ-LH as a perfect platform for hosting trivalentcations, closing the gap toward the next generation of benchmarkefficient earth-abundant electrocatalystsp.
dc.format
application/pdf
dc.language.iso
eng
dc.publisher
John Wiley & Sons
dc.rights
info:eu-repo/semantics/openAccess
dc.rights.uri
https://creativecommons.org/licenses/by-nc-nd/2.5/ar/
dc.subject
HYDROXIDES
dc.subject
DFT+U
dc.subject
EPOXIDE ROUTE
dc.subject
OER
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Físico-Química, Ciencia de los Polímeros, Electroquímica
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Ciencias Químicas
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CIENCIAS NATURALES Y EXACTAS
dc.title
Influence of Crystallographic Structure and Metal Vacancies on the Oxygen Evolution Reaction Performance of Ni-based Layered Hydroxides
dc.type
info:eu-repo/semantics/article
dc.type
info:ar-repo/semantics/artículo
dc.type
info:eu-repo/semantics/publishedVersion
dc.date.updated
2024-03-25T12:22:41Z
dc.journal.volume
30
dc.journal.number
5
dc.journal.pagination
1-12
dc.journal.pais
Alemania
dc.description.fil
Fil: Sanchis Gual, Roger. Universidad de Valencia; España
dc.description.fil
Fil: Jaramillo Hernández, Camilo. Universidad de Valencia; España
dc.description.fil
Fil: Hunt, Diego. Consejo Nacional de Investigaciones Cientificas y Tecnicas. Oficina de Coordinacion Administrativa Ciudad Universitaria. Unidad Ejecutora Instituto de Nanociencia y Nanotecnologia. Unidad Ejecutora Instituto de Nanociencia y Nanotecnologia - Nodo Constituyentes | Comision Nacional de Energia Atomica. Unidad Ejecutora Instituto de Nanociencia y Nanotecnologia. Unidad Ejecutora Instituto de Nanociencia y Nanotecnologia - Nodo Constituyentes.; Argentina
dc.description.fil
Fil: Seijas Da Silva, Álvaro. Universidad de Valencia; España
dc.description.fil
Fil: Mizrahi, Martin Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - La Plata. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas. Universidad Nacional de La Plata. Facultad de Ciencias Exactas. Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas; Argentina
dc.description.fil
Fil: Marini, Carlo. No especifíca;
dc.description.fil
Fil: Oestreicher, Víctor Santiago Jesús. Universidad de Valencia; España. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
dc.description.fil
Fil: Abellán, Gonzalo. Universidad de Valencia; España
dc.journal.title
Chemistry - A European Journal
dc.relation.alternativeid
info:eu-repo/semantics/altIdentifier/doi/http://dx.doi.org/10.1002/chem.202303146
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