NAGIOS: RODERIC FUNCIONANDO

Crystallographic and geometrical dependence of water oxidation activity in Co-based layered hydroxides

Repositori DSpace/Manakin

Valencià Castellano

Inici
Investigació
e-prints
23 - Química
Visualitza element

IMPORTANT: Aquest repositori està en una versió antiga des del 3/12/2023. La nova instal.lació está en https://roderic.uv.es/

Crystallographic and geometrical dependence of water oxidation activity in Co-based layered hydroxides

Mostra el registre parcial de l'element

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	2023-03-29T16:40:25Z
dc.date.available	2023-03-29T16:40:25Z
dc.date.issued	2022
dc.identifier.citation	Sanchis Gual, Roger Hunt, Diego Jaramillo, Camilo Seijas-Da Silva, Alvaro Mizrahi, Martín Marini, Carlo Oestreicher, Víctor Abellán Sáez, Gonzalo 2022 Crystallographic and geometrical dependence of water oxidation activity in Co-based layered hydroxides Inorganic Chemistry
dc.identifier.uri	https://hdl.handle.net/10550/85974
dc.description.abstract	Cobalt-based layered hydroxides (LHs) stand out as one of the best families of electroactive materials for the alkaline oxygen evolution reaction (OER). However, fundamental aspects such as the influence of the crystalline structure and its connection with the geometry of the catalytic sites remains poorly understood. Thus, to address this we have conducted a thorough experimental and in silico study on the most essential Co-LHs (i.e.: ɑ-LH, β-LH and LDH) which allows us to understand the role of the layered structure and coordination environment of Co atoms on the OER performance. The ɑ-LH, containing both octahedral and tetrahedral sites, behaves as the best OER catalyst in comparison to the other phases, pointing out the role of the chemical nature of the crystalline structure. Indeed, density functional theory (DFT) calculations confirm the experimental results which can be explained in terms of both, the significant reduction of the Egap, due to the presence of tetrahedral sites, as well as the more favourable reconstruction of the ɑ-LH structure into active Co(III)-based oxyhydroxide-like phase. Furthermore, ex-situ X-ray diffraction and absorption spectroscopy reveal the permanent transformation of ɑ-LH phase into an unprecedented highly reactive oxyhydroxide-like structure under ambient conditions. Hence, our findings highlight the key role of tetrahedral sites on the electronic properties of the LH structure as well as their inherent reactivity towards OER catalysis, paving the way for the rational design of more efficient and low-maintenance electrocatalysts.
dc.language.iso	eng
dc.relation.ispartof	Inorganic Chemistry, 2022
dc.subject	Química
dc.title	Crystallographic and geometrical dependence of water oxidation activity in Co-based layered hydroxides
dc.type	journal article	es_ES
dc.date.updated	2023-03-29T16:40:25Z
dc.identifier.doi	10.26434/chemrxiv-2022-rcq28
dc.identifier.idgrec	157201
dc.embargo.terms	1 year
dc.embargo.liftdate	2024-12-29
dc.rights.accessRights	open access	es_ES