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Biaxial strain induced OH engineer for accelerating alkaline hydrogen evolution.

Tao Zhang¹, Qitong Ye², Zengyu Han³

¹School of Physical and Mathematical Sciences, Nanyang Technological University, 21 Nanyang Link, Singapore, 637371, Singapore.

Nature Communications

|August 2, 2024

Summary

Biaxially strained molybdenum diselenide (MoSe2) nanoshells accelerate alkaline hydrogen evolution by optimizing water adsorption and dissociation. This engineered catalyst achieves low overpotential and stable performance, reducing energy consumption in electrolysis.

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Area of Science:

Materials Science
Electrochemistry
Catalysis

Background:

Sluggish Volmer step kinetics in alkaline hydrogen evolution lead to high energy consumption.
Controlling water adsorption and dissociation remains a key challenge for efficient electrocatalysis.

Purpose of the Study:

To develop a catalyst with enhanced performance for alkaline hydrogen evolution.
To investigate the impact of strain dimensionality on water dissociation and adsorption.

Main Methods:

Fabrication of biaxially strained MoSe2 three-dimensional nanoshells.
Electrocatalytic performance evaluation in alkaline media.
Analysis of water adsorption and dissociation mechanisms using computational methods.

Main Results:

Biaxially strained MoSe2 nanoshells achieved a low overpotential of 58.2 mV at 10 mA cm-2.
The catalyst demonstrated long-term stability at high current densities (1 A cm-2) in electrolyzers.
Strain engineering altered water adsorption from O-down to O-horizontal via stronger hydrogen bonds, facilitating dissociation.

Conclusions:

Biaxial strain in MoSe2 nanoshells significantly enhances hydrogen evolution reaction kinetics.
Engineered water adsorption and dissociation pathways contribute to improved catalytic efficiency.
This work provides insights for designing advanced nanostructured catalysts for multi-electron reactions.