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

dc.contributor.author
Meng, Ling
dc.contributor.author
Viñes Solana, Francesc
dc.contributor.author
Illas i Riera, Francesc
dc.date.issued
2025-03-13T16:45:05Z
dc.date.issued
2025-03-13T16:45:05Z
dc.date.issued
2023-06-07
dc.date.issued
2025-03-13T16:45:06Z
dc.identifier
2451-9103
dc.identifier
https://hdl.handle.net/2445/219699
dc.identifier
738221
dc.description.abstract
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.
dc.format
7 p.
dc.format
application/pdf
dc.language
eng
dc.publisher
Elsevier B.V.
dc.relation
Reproducció del document publicat a: https://doi.org/10.1016/j.coelec.2023.101332
dc.relation
Current Opinion In Electrochemistry, 2023, vol. 40, p. 101332
dc.relation
https://doi.org/10.1016/j.coelec.2023.101332
dc.rights
cc-by-nc-nd (c) Meng, Ling, et al., 2023
dc.rights
http://creativecommons.org/licenses/by-nc-nd/4.0/
dc.rights
info:eu-repo/semantics/openAccess
dc.source
Articles publicats en revistes (Ciència dels Materials i Química Física)
dc.subject
Nitrurs
dc.subject
Hidrogen
dc.subject
Electrocatàlisi
dc.subject
Nitrides
dc.subject
Hydrogen
dc.subject
Electrocatalysis
dc.title
Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review
dc.type
info:eu-repo/semantics/article
dc.type
info:eu-repo/semantics/publishedVersion


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