Author, as appears in the article.: McAllister J; Bandeira N; McGlynn J; Ganin A; Song Y; Bo C; Miras H
Department: Química Física i Inorgànica
URV's Author/s: Bo Jané, Carles
Keywords: Solid-state Ligands Identification Exchange Efficient Crystal Cores Complexes Chemistry Approximation
Abstract: © 2019, The Author(s). The production of hydrogen through water splitting using earth-abundant metal catalysts is a promising pathway for converting solar energy into chemical fuels. However, existing approaches for fine stoichiometric control, structural and catalytic modification of materials by appropriate choice of earth abundant elements are either limited or challenging. Here we explore the tuning of redox active immobilised molecular metal-chalcoxide electrocatalysts by controlling the chalcogen or metal stoichiometry and explore critical aspects of the hydrogen evolution reaction (HER). Linear sweep voltammetry (LSV) shows that stoichiometric and structural control leads to the evolution of hydrogen at low overpotential with no catalyst degradation over 1000 cycles. Density functional calculations reveal the effect of the electronic and structural features and confer plausibility to the existence of a unimolecular mechanism in the HER process based on the tested hypotheses. We anticipate these findings to be a starting point for further exploration of molecular catalytic systems.
Thematic Areas: Zootecnia / recursos pesqueiros Saúde coletiva Química Psicología Planejamento urbano e regional / demografia Physics and astronomy (miscellaneous) Physics and astronomy (all) Odontología Nutrição Multidisciplinary sciences Multidisciplinary Medicina veterinaria Medicina iii Medicina ii Medicina i Materiais Matemática / probabilidade e estatística Interdisciplinar Geociências General physics and astronomy General medicine General chemistry General biochemistry,genetics and molecular biology Farmacia Engenharias iv Educação física Ciências biológicas iii Ciências biológicas ii Ciências biológicas i Ciências ambientais Ciências agrárias i Ciência da computação Chemistry (miscellaneous) Chemistry (all) Biotecnología Biodiversidade Biochemistry, genetics and molecular biology (miscellaneous) Biochemistry, genetics and molecular biology (all) Astronomia / física Antropologia / arqueologia
licence for use: https://creativecommons.org/licenses/by/3.0/es/
ISSN: 20411723
Author's mail: carles.bo@urv.cat
Author identifier: 0000-0001-9581-2922
Record's date: 2024-07-27
Journal volume: 10
Papper version: info:eu-repo/semantics/publishedVersion
Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
Papper original source: Nature Communications. 10 (1): 370-
APA: McAllister J; Bandeira N; McGlynn J; Ganin A; Song Y; Bo C; Miras H (2019). Tuning and mechanistic insights of metal chalcogenide molecular catalysts for the hydrogen-evolution reaction. Nature Communications, 10(1), 370-. DOI: 10.26434/chemrxiv.7466591.v1
Entity: Universitat Rovira i Virgili
Journal publication year: 2019
First page: Article number 370
Publication Type: Journal Publications
Repositori URV