Mechanistic insights of molecular metal polyselenides for catalytic hydrogen generation

Autor: Alexander Elliott, James McAllister, Liudvika Masaityte, Mireia Segado-Centellas, De-Liang Long, Alexey Y. Ganin, Yu-Fei Song, Carles Bo, Haralampos N. Miras
Rok vydání: 2022
Předmět:
Zdroj: Chemical Communications. 58:6906-6909
ISSN: 1364-548X
1359-7345
DOI: 10.1039/d2cc01226j
Popis: 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.
Databáze: OpenAIRE