Articles producció científica> Química Física i Inorgànica

Mechanistic Insights of Photocatalytic CO2 Reduction: Experimental versus Computational Studies

  • Identification data

    Identifier: imarina:9261752
  • Authors:

    Masdeu-Bultó AM
    Reguero M
    Claver C
    European Journal Of Inorganic Chemistry
    10.1002/ejic.202100975
    European Journal Of Inorganic Chemistry. 2022 (14):
  • Others:

    Author, as appears in the article.: Masdeu-Bultó AM; Reguero M; Claver C
    Department: Química Física i Inorgànica
    URV's Author/s: Claver Cabrero, Maria del Carmen Orosia / Masdeu Bultó, Anna Maria / Reguero de la Poza, Maria del Mar
    Keywords: Selective photochemical reduction Reaction mechanisms Photocatalysis Molecular catalysts Density functional calculations Carbon dioxide reduction visible-light reaction mechanisms photocatalysis nickel(ii) complexes molecular catalysts molecular catalyst metal-complexes light photoredox catalysis highly efficient electrochemical reduction density functional calculations conversion carbon-dioxide reduction
    Abstract: To stop the global warming, a complementary alternative to the decrease of CO2 production is the reduction of its amount in the atmosphere by capture and transformation into consumer products. One of the most interesting primary products is CO, used to synthesise liquid fuels. Perhaps the most attractive way of reducing CO2 to CO is the photocatalytic route. To know the details of the mechanism of this reaction can help in the design of more efficient catalytic systems. In this review, we compile the studies, undertaken from both computational and experimental approaches, of the reaction mechanism of the photoreduction of CO2 to CO by molecular catalytic systems based on transition metal complexes. The combination of experimental and computational studies can be crucial to achieve the goal aimed.
    Thematic Areas: Química Medicina i Materiais Interdisciplinar Inorganic chemistry Farmacia Engenharias iii Engenharias ii Ciências biológicas ii Ciências biológicas i Chemistry, inorganic & nuclear Astronomia / física
    licence for use: https://creativecommons.org/licenses/by/3.0/es/
    Author's mail: annamaria.masdeu@urv.cat carmen.claver@urv.cat mar.reguero@urv.cat
    Author identifier: 0000-0001-7938-3902 0000-0002-2518-7401 0000-0001-9668-8265
    Record's date: 2024-07-20
    Papper version: info:eu-repo/semantics/publishedVersion
    Link to the original source: https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/ejic.202100975
    Licence document URL: http://repositori.urv.cat/ca/proteccio-de-dades/
    Papper original source: European Journal Of Inorganic Chemistry. 2022 (14):
    APA: Masdeu-Bultó AM; Reguero M; Claver C (2022). Mechanistic Insights of Photocatalytic CO2 Reduction: Experimental versus Computational Studies. European Journal Of Inorganic Chemistry, 2022(14), -. DOI: 10.1002/ejic.202100975
    Article's DOI: 10.1002/ejic.202100975
    Entity: Universitat Rovira i Virgili
    Journal publication year: 2022
    Publication Type: Journal Publications
  • Keywords:

    Chemistry, Inorganic & Nuclear,Inorganic Chemistry
    Selective photochemical reduction
    Reaction mechanisms
    Photocatalysis
    Molecular catalysts
    Density functional calculations
    Carbon dioxide reduction
    visible-light
    reaction mechanisms
    photocatalysis
    nickel(ii) complexes
    molecular catalysts
    molecular catalyst
    metal-complexes
    light photoredox catalysis
    highly efficient
    electrochemical reduction
    density functional calculations
    conversion
    carbon-dioxide reduction
    Química
    Medicina i
    Materiais
    Interdisciplinar
    Inorganic chemistry
    Farmacia
    Engenharias iii
    Engenharias ii
    Ciências biológicas ii
    Ciências biológicas i
    Chemistry, inorganic & nuclear
    Astronomia / física
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