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Si us plau utilitzeu sempre aquest identificador per citar o enllaçar aquest document: https://hdl.handle.net/2445/219699
Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review
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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.
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MENG, Ling, VIÑES SOLANA, Francesc and ILLAS I RIERA, Francesc. Theoretical modelling of the Hydrogen evolution reaction on MXenes: A critical review. Current Opinion In Electrochemistry. 2023. Vol. 40, num. 101332. ISSN 2451-9103. [consulted: 9 of August of 2026]. Available at: https://hdl.handle.net/2445/219699