Cd-driven surface reconstruction and photodynamics in gold nanoclusters

Area of Science:

• Nanomaterials Science
• Catalysis
• Photochemistry

Background:

• Metal nanoclusters are crucial catalysts, and alloying them with other metals can enhance their properties.
• Precisely controlling atomic substitution in gold nanoclusters for synergistic effects remains a significant challenge.
• Understanding the structure-property relationships in heteroatom-doped gold nanoclusters is vital for designing advanced catalysts.

Purpose of the Study:

• To investigate a Cd-driven reconstruction strategy for creating novel gold-cadmium nanoclusters.
• To explore the impact of atomic substitution on the electronic structure and photocatalytic activity of gold nanoclusters.
• To elucidate the formation mechanism of Au38Cd4(DMBT)30 nanoclusters and their unique properties.

Main Methods:

• Synthesis of atomically precise gold nanoclusters (Au44(DMBT)28).
• Cd-driven reconstruction to replace gold units with gold-cadmium units, forming Au38Cd4(DMBT)30.
• Characterization of nanocluster structure, electronic properties, and photocatalytic performance.

Main Results:

• Successfully synthesized Au38Cd4(DMBT)30 nanoclusters via a Cd-driven reconstruction of Au44(DMBT)28.
• Observed precise substitution of Au2(DMBT)3 staples with Au5Cd2(DMBT)12 staples, retaining the face-centered cubic core.
• Demonstrated enhanced photocatalytic activity and distinct excitonic behaviors in the modified Au38Cd4(DMBT)30 nanoclusters compared to the parent Au44(DMBT)28.

Conclusions:

• Cd-driven reconstruction is an effective strategy for designing synergistic gold-based nanoclusters.
• The modified Au38Cd4(DMBT)30 nanoclusters exhibit superior photocatalytic performance due to altered surface and electronic structures.
• This work provides a pathway for developing advanced heteroatom-doped nanoclusters for catalytic applications.