Single-Atom Synergy of Luminescence and Catalytic Stability in Silver-Encapsulated Gold Na

A 13-fold enhancement in phosphorescence quantum yield to 40.8% is achieved by encapsulating a single silver ion in a gold nanocluster. This dataset contains XYZ files describing the structure of the high-nuclearity bimetallic nanocluster [Au11Ag1] and its hollow [Au11] precursor, published by Shan-Le Wang on figshare in 2026. The silver encapsulation provides structural reinforcement via 9-fold Au(I)–Ag(I) interactions, enabling efficient photocatalytic aerobic oxidation of sulfides.

Use Cases

• Modeling metallophilic interactions based on the described Au(I)–Ag(I) bonds.
• Studying structure-property relationships for luminescence based on the reported phosphorescence quantum yield.
• Simulating catalytic stability in nanoclusters based on the described structural reinforcement.
• Analyzing heterometal recognition dynamics based on the described encapsulation with a binding constant (Ka ∼ 10^5 M^–1).

Strengths

• Specific structural details are provided, including a 13-fold enhancement in phosphorescence quantum yield to 40.8%.
• Binding constant for silver encapsulation is quantified (Ka ∼ 10^5 M^–1).
• Structural reinforcement is described concretely as 9-fold Au(I)–Ag(I) interactions.

Limitations

• Column-level documentation is absent; field semantics must be inferred after download.
• Row count is unknown, which may limit suitability assessment.
• The dataset is very small at 64.6 KB, indicating limited scope.

Provenance

Source

figshare

Collection Method

Likely contains computational chemistry data from synthesis and characterization experiments.

Freshness

Last updated 2026-05-25 07:03:26; freshness should be verified.