Issue 49, 2022

Mechanistic insights of molecular metal polyselenides for catalytic hydrogen generation

Abstract

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.

Graphical abstract: Mechanistic insights of molecular metal polyselenides for catalytic hydrogen generation

Supplementary files

Article information

Article type
Communication
Submitted
28 Feb 2022
Accepted
26 May 2022
First published
26 May 2022
This article is Open Access
Creative Commons BY license

Chem. Commun., 2022,58, 6906-6909

Mechanistic insights of molecular metal polyselenides for catalytic hydrogen generation

A. Elliott, J. McAllister, L. Masaityte, M. Segado-Centellas, D. Long, A. Y. Ganin, Y. Song, C. Bo and H. N. Miras, Chem. Commun., 2022, 58, 6906 DOI: 10.1039/D2CC01226J

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