A Double Atomic-Tuned RuBi SAA/Bi@OG Nanostructure with Optimum Charge Redistribution for Efficient Hydrogen...

Area of Science:

• Materials Science
• Electrochemistry
• Nanotechnology

Background:

• Surface charge redistribution on ruthenium (Ru) nanoparticles critically influences their electrocatalytic activity for the hydrogen evolution reaction (HER).
• Developing efficient electrocatalysts requires precise control over electronic structures at the atomic level.

Purpose of the Study:

• To design and synthesize a novel nanostructure for enhanced alkaline HER activity.
• To investigate the synergistic effects of alloying and single-site doping on charge redistribution and catalytic performance.

Main Methods:

• One-step pyrolysis method for synthesizing the RuBi single-atom alloy nanoparticle supported by Bi-O single-site-doped graphene (RuBi SAA/Bi@OG).
• Electrochemical characterization to evaluate HER activity in alkaline media.
• Density Functional Theory (DFT) calculations to elucidate charge redistribution mechanisms and adsorption energies.

Main Results:

• The synthesized RuBi SAA/Bi@OG exhibited superior alkaline HER activity, with a mass activity of 65000 mA/mg at 150 mV overpotential, significantly outperforming commercial Pt/C (72.2 times higher).
• Synergistic effects between the alloyed Bi single atom and adjacent Bi-O single site facilitated optimal electron transfer and charge redistribution on the Ru surface.
• DFT calculations confirmed that the nanostructure possesses ideal charge redistribution, strengthening water adsorption and weakening hydrogen adsorption free energy.

Conclusions:

• The double atomic-tuned RuBi SAA/Bi@OG nanostructure effectively optimizes charge redistribution on Ru nanoparticles, leading to highly efficient electrocatalytic HER.
• This strategy offers a new pathway for designing advanced electrocatalysts by precisely controlling surface electronic properties.