Atomically Precise Fcc-Amorphous Homometal Heterojunction with ∼1 nm Size.

Area of Science:

• Nanotechnology and Materials Science
• Catalysis
• Surface Science

Background:

• Studying crystalline-amorphous heterostructures in nanomaterials is challenging.
• Ultrasmall gold nanoclusters offer atomic precision for such investigations.

Purpose of the Study:

• To synthesize and characterize a novel gold nanocluster with crystalline-amorphous heterojunction.
• To investigate the catalytic activity of this heterostructure for CO2 reduction.

Main Methods:

• Acid-induction method for synthesizing Au52(TBBT)30 nanoclusters.
• Density Functional Theory (DFT) calculations.
• Experimental validation using differential pulse voltammetry, antioxidation, and anti-Galvanic reaction tests.

Main Results:

• Successfully constructed the first fcc-amorphous homometal heterojunction (Au52(TBBT)30) at the nanoscale.
• DFT revealed distinct electronic properties and redox activity between amorphous Au22 and fcc Au21 parts.
• The heterojunction exhibited superior electrocatalytic performance for CO2 to CO reduction compared to purely crystalline gold nanoclusters.

Conclusions:

• The synthesized Au52(TBBT)30 nanocluster represents a breakthrough in creating nanoscale crystalline-amorphous heterostructures.
• The interface between amorphous and crystalline gold surfaces is crucial for efficient CO2 electroreduction.
• This work opens new avenues for designing advanced catalysts based on homometal heterojunctions.