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Influence of crystallographic structure and metal vacancies on the oxygen evolution reaction performance of Ni-based layered hydroxides

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Influence of crystallographic structure and metal vacancies on the oxygen evolution reaction performance of Ni-based layered hydroxides

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dc.contributor.author	Sanchis-Gual, Roger
dc.contributor.author	Hunt, Diego
dc.contributor.author	Jaramillo, Camilo
dc.contributor.author	Seijas-Da Silva, Alvaro
dc.contributor.author	Mizrahi, Martín
dc.contributor.author	Marini, Carlo
dc.contributor.author	Oestreicher, Víctor
dc.contributor.author	Abellán Sáez, Gonzalo
dc.date.accessioned	2023-03-29T16:49:57Z
dc.date.available	2024-01-25T05:45:05Z
dc.date.issued	2023
dc.identifier.citation	Sanchis-Gual, Roger Hunt, Diego Jaramillo, Camilo Seijas-Da Silva, Alvaro Mizrahi, Martín Marini, Carlo Oestreicher, Víctor Abellán Sáez, Gonzalo 2023 Influence of crystallographic structure and metal vacancies on the oxygen evolution reaction performance of Ni-based layered hydroxides Inorganic Chemistry
dc.identifier.uri	https://hdl.handle.net/10550/85975
dc.description.abstract	Nickel-based layered hydroxides (LHs) are a family of efficient electrocatalysts for the alkaline oxygen evolution reaction (OER). Nevertheless, fundamental aspects such as the influence of the crystalline structure and the role of lattice distortion of the catalytic sites remain poorly understood and typically muddled. Herein, we carried out a comprehensive investigation on ɑ-LH, β-LH and LDH phases, analysing the role exerted by Ni-vacancies by means of structural, spectroscopical, in-silico and electrochemical studies. Indeed, density functional theory (DFT) calculations, in agreement with X-ray absorption spectroscopy (XAS), confirm that the presence of Ni-vacancies produces acute distortions of the electroactive Ni sites (shortening in the Ni-O distances and changes in the O-Ni-O angles), triggering the appearance of Ni localised electronic states on the Fermi level, reducing of Egap, and therefore increasing the reactivity of the electroactive sites. Furthermore, post-mortem Raman and XAS measurements unveil the transformation of ɑ-LH phase into a highly reactive oxyhydroxide-like structure stable under ambient conditions. Hence, this work pinpoints the critical role of cationic vacancies on the structural and electronic properties of the LH structures, which controls their inherent reactivity towards OER catalysis. We envision Ni-based ɑ-LH as a perfect platform for trivalent cations hosting, closing the gap toward the next generation of benchmark efficient earth-abundant electrocatalysts.
dc.language.iso	eng
dc.relation.ispartof	Inorganic Chemistry, 2023
dc.subject	Química
dc.title	Influence of crystallographic structure and metal vacancies on the oxygen evolution reaction performance of Ni-based layered hydroxides
dc.type	journal article	es_ES
dc.date.updated	2023-03-29T16:49:57Z
dc.identifier.doi	10.26434/chemrxiv-2023-r5zqx
dc.identifier.idgrec	157202
dc.embargo.terms	1 year
dc.rights.accessRights	open access	es_ES