Steering elementary steps towards efficient alkaline hydrogen evolution via size-dependent Ni/NiO nanoscale heterosurfaces.

Publisher: China Science Publishing Country of Publication: China NLM ID: 101633095 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2053-714X (Electronic) Linking ISSN: 2053714X NLM ISO Abbreviation: Natl Sci Rev Subsets: PubMed not MEDLINE

Original Publication: Beijing : Oxford : China Science Publishing ; Oxford University Press, [2014]-

Alkaline hydrogen evolution reaction (HER), consisting of Volmer and Heyrovsky/Tafel steps, requires extra energy for water dissociation, leading to more sluggish kinetics than acidic HER. Despite the advances in electrocatalysts, how to combine active sites to synergistically promote both steps and understand the underlying mechanism remain largely unexplored. Here, Density Functional Theory (DFT) calculations predict that NiO accelerates the Volmer step while metallic Ni facilitates the Heyrovsky/Tafel step. A facile strategy is thus developed to control Ni/NiO heterosurfaces in uniform and well-dispersed Ni-based nanocrystals, targeting both reaction steps synergistically. By systematically modulating the surface composition, we find that steering the elementary steps through tuning the Ni/NiO ratio can significantly enhance alkaline HER activity, and Ni/NiO nanocrystals with a Ni/NiO ratio of 23.7% deliver the best activity, outperforming other state-of-the-art analogues. The results suggest that integrating bicomponent active sites for elementary steps is effective for promoting alkaline HER, but they have to be balanced.
(© The Author(s) 2019. Published by Oxford University Press on behalf of China Science Publishing & Media Ltd.)

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Keywords: Ni/NiO interface; alkaline hydrogen evolution reaction; electrocatalysis; elementary step

Date Created: 20211025 Latest Revision: 20211026

20240829

PMC8288842

10.1093/nsr/nwz145

34692014