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. 2021 Aug 9;14(15):3074-3083.
doi: 10.1002/cssc.202100967. Epub 2021 Jun 21.

Structure-Tailored Non-Noble Metal-based Ternary Chalcogenide Nanocrystals for Pt-like Electrocatalytic Hydrogen Production

Shreya Sarkar  1   2 , Abhishek Rawat  1   2 , Tisita Das  3 , Mattia Gaboardi  4 , Sudip Chakraborty  3 , C P Vinod  5 , Sebastian C Peter  1   2
Affiliations

Structure-Tailored Non-Noble Metal-based Ternary Chalcogenide Nanocrystals for Pt-like Electrocatalytic Hydrogen Production

Shreya Sarkar et al. ChemSusChem. .

Abstract

A facile microwave-assisted strategy was employed to synthesize Ni3 Bi2 S2 nanocrystals. Variation in the synthesis conditions tuned the composition of monoclinic and orthorhombic phases of Ni3 Bi2 S2 . The electrochemical hydrogen evolution activity of the catalyst with highest percentage of monoclinic phase demonstrated a negligible onset potential of only 24 mV close to that of state-of-the-art Pt/C with an overpotential as low as 88 mV. Density functional theory calculations predicted the monoclinic phase exhibit the lowest adsorption free energy corresponding to hydrogen adsorption ( Δ G ads H * ) and, therefore, the highest hydrogen evolution activity amongst the considered phases. The quasi-2D structure of monoclinic phase facilitated an increased charge-transfer between Ni and Bi, favoring the downward shift of the d-band center to enhance the catalytic activity.

Keywords: charge transfer; electrocatalysis; hydrogen evolution reaction; nanomaterials; ternary chalcogenides..

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