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https://hdl.handle.net/2445/219699| Title: | Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review |
| Author: | Meng, Ling Viñes Solana, Francesc Illas i Riera, Francesc |
| Keywords: | Nitrurs Hidrogen Electrocatàlisi Nitrides Hydrogen Electrocatalysis |
| Issue Date: | 7-Jun-2023 |
| Publisher: | Elsevier B.V. |
| 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. |
| Note: | Reproducció del document publicat a: https://doi.org/10.1016/j.coelec.2023.101332 |
| It is part of: | Current Opinion In Electrochemistry, 2023, vol. 40, p. 101332 |
| URI: | https://hdl.handle.net/2445/219699 |
| Related resource: | https://doi.org/10.1016/j.coelec.2023.101332 |
| ISSN: | 2451-9103 |
| Appears in Collections: | Articles publicats en revistes (Ciència dels Materials i Química Física) Articles publicats en revistes (Institut de Química Teòrica i Computacional (IQTCUB)) |
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|---|---|---|---|---|
| 825612.pdf | 1.69 MB | Adobe PDF | View/Open |
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