Mechanistic insights of molecular metal polyselenides for catalytic hydrogen generation

Elliott, A., McAllister, J. , Masaityte, L., Segado Centellas, M., Long, D.-L. , Ganin, A. , Song, Y.-F., Bo, C. and Miras, H. N. (2022) Mechanistic insights of molecular metal polyselenides for catalytic hydrogen generation. Chemical Communications, 58(49), pp. 6906-6909. (doi: 10.1039/D2CC01226J) (PMID:35642784)

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Molecular metal chalcogenides have attracted great attention as electrocatalysts for the hydrogen evolution reaction (HER). However, efficient utilisation of the active sites and catalytic performance modulation has been challenging. Here we explore the design of immobilized molecular molybdenum polyselenides [Mo2O2S2(Se2)(Sex)]2– that exhibit efficient hydrogen evolution at low overpotential and stability over 1000 cycles. Density functional calculations provide evidence of a unimolecular mechanism in the HER process via the exploration of viable reaction pathways. The discussed findings are of a broad interest in the development of efficient molecular electrocatalytic materials.

Item Type:Articles
Glasgow Author(s) Enlighten ID:Moiras, Dr Haralampos and McAllister, Mr James and Long, Dr Deliang and Ganin, Dr Alexey and Elliott, Mr Alexander and Masaityte, Miss Liudvika
Authors: Elliott, A., McAllister, J., Masaityte, L., Segado Centellas, M., Long, D.-L., Ganin, A., Song, Y.-F., Bo, C., and Miras, H. N.
College/School:College of Science and Engineering > School of Chemistry
Journal Name:Chemical Communications
Publisher:Royal Society of Chemistry
ISSN (Online):1364-548X
Published Online:26 May 2022
Copyright Holders:Copyright © 2022 The Royal Society of Chemistry
First Published:First published in Chemical Communications 58:6906-6909
Publisher Policy:Reproduced under a Creative Commons License

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