Articles producció científica> Química Física i Inorgànica

Tuning and mechanistic insights of metal chalcogenide molecular catalysts for the hydrogen-evolution reaction

  • Identification data

    Identifier: imarina:5754009
    Authors:
    McAllister JBandeira NMcGlynn JGanin ASong YBo CMiras H
    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.
  • Others:

    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
    Link to the original source: https://www.nature.com/articles/s41467-018-08208-4
    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
    Article's DOI: 10.26434/chemrxiv.7466591.v1
    Entity: Universitat Rovira i Virgili
    Journal publication year: 2019
    First page: Article number 370
    Publication Type: Journal Publications
  • Keywords:

    Biochemistry, Genetics and Molecular Biology (Miscellaneous),Chemistry (Miscellaneous),Multidisciplinary Sciences,Physics and Astronomy (Miscellaneous)
    Solid-state
    Ligands
    Identification
    Exchange
    Efficient
    Crystal
    Cores
    Complexes
    Chemistry
    Approximation
    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
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