Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review

MXenes, two-dimensional (2D) transition-metal carbides and nitrides with diverse compositions and structures, have attracted notable attention due to their potential as promising alternatives to the conventional Pt-group catalysts for the hydrogen evolution reaction (HER). Hereby, we analyze the sta...

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Detalles Bibliográficos
Autores: Meng, Ling, Viñes Solana, Francesc, Illas i Riera, Francesc
Tipo de recurso: artículo
Estado:Versión publicada
Fecha de publicación:2023
País:España
Institución:Universidad de Barcelona
Repositorio:Dipòsit Digital de la UB
OAI Identifier:oai:diposit.ub.edu:2445/219699
Acceso en línea:https://hdl.handle.net/2445/219699
Access Level:acceso abierto
Palabra clave:Nitrurs
Hidrogen
Electrocatàlisi
Nitrides
Hydrogen
Electrocatalysis
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spelling Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical reviewMeng, LingViñes Solana, FrancescIllas i Riera, FrancescNitrursHidrogenElectrocatàlisiNitridesHydrogenElectrocatalysisMXenes, two-dimensional (2D) transition-metal carbides and nitrides with diverse compositions and structures, have attracted notable attention due to their potential as promising alternatives to the conventional Pt-group catalysts for the hydrogen evolution reaction (HER). Hereby, we analyze the state-of-art approaches in theoretical modelling HER in MXenes with the aim of assessing their intrinsic activity for this crucial electrocatalytic reaction, analyze diverse thermodynamic and electronic properties proposed as descriptors, inspect kinetic aspects, and explore linear scaling relations. Ultimately, we present an overview of the challenges, perspectives, and future research of HER in MXenes.Elsevier B.V.2023info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionapplication/pdfhttps://hdl.handle.net/2445/219699Articles publicats en revistes (Ciència dels Materials i Química Física)reponame:Dipòsit Digital de la UBinstname:Universidad de BarcelonaInglésReproducció del document publicat a: https://doi.org/10.1016/j.coelec.2023.101332Current Opinion In Electrochemistry, 2023, vol. 40, p. 101332https://doi.org/10.1016/j.coelec.2023.101332cc-by-nc-nd (c) Meng, Ling, et al., 2023http://creativecommons.org/licenses/by-nc-nd/4.0/info:eu-repo/semantics/openAccessoai:diposit.ub.edu:2445/2196992026-05-27T06:46:51Z
dc.title.none.fl_str_mv Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review
title Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review
spellingShingle Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review
Meng, Ling
Nitrurs
Hidrogen
Electrocatàlisi
Nitrides
Hydrogen
Electrocatalysis
title_short Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review
title_full Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review
title_fullStr Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review
title_full_unstemmed Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review
title_sort Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review
dc.creator.none.fl_str_mv Meng, Ling
Viñes Solana, Francesc
Illas i Riera, Francesc
author Meng, Ling
author_facet Meng, Ling
Viñes Solana, Francesc
Illas i Riera, Francesc
author_role author
author2 Viñes Solana, Francesc
Illas i Riera, Francesc
author2_role author
author
dc.subject.none.fl_str_mv Nitrurs
Hidrogen
Electrocatàlisi
Nitrides
Hydrogen
Electrocatalysis
topic Nitrurs
Hidrogen
Electrocatàlisi
Nitrides
Hydrogen
Electrocatalysis
description MXenes, two-dimensional (2D) transition-metal carbides and nitrides with diverse compositions and structures, have attracted notable attention due to their potential as promising alternatives to the conventional Pt-group catalysts for the hydrogen evolution reaction (HER). Hereby, we analyze the state-of-art approaches in theoretical modelling HER in MXenes with the aim of assessing their intrinsic activity for this crucial electrocatalytic reaction, analyze diverse thermodynamic and electronic properties proposed as descriptors, inspect kinetic aspects, and explore linear scaling relations. Ultimately, we present an overview of the challenges, perspectives, and future research of HER in MXenes.
publishDate 2023
dc.date.none.fl_str_mv 2023
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv https://hdl.handle.net/2445/219699
url https://hdl.handle.net/2445/219699
dc.language.none.fl_str_mv Inglés
language_invalid_str_mv Inglés
dc.relation.none.fl_str_mv Reproducció del document publicat a: https://doi.org/10.1016/j.coelec.2023.101332
Current Opinion In Electrochemistry, 2023, vol. 40, p. 101332
https://doi.org/10.1016/j.coelec.2023.101332
dc.rights.none.fl_str_mv cc-by-nc-nd (c) Meng, Ling, et al., 2023
http://creativecommons.org/licenses/by-nc-nd/4.0/
info:eu-repo/semantics/openAccess
rights_invalid_str_mv cc-by-nc-nd (c) Meng, Ling, et al., 2023
http://creativecommons.org/licenses/by-nc-nd/4.0/
eu_rights_str_mv openAccess
dc.format.none.fl_str_mv application/pdf
dc.publisher.none.fl_str_mv Elsevier B.V.
publisher.none.fl_str_mv Elsevier B.V.
dc.source.none.fl_str_mv Articles publicats en revistes (Ciència dels Materials i Química Física)
reponame:Dipòsit Digital de la UB
instname:Universidad de Barcelona
instname_str Universidad de Barcelona
reponame_str Dipòsit Digital de la UB
collection Dipòsit Digital de la UB
repository.name.fl_str_mv
repository.mail.fl_str_mv
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score 15.81155

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