Data from the article "Single-Atom Dopants in Plasmonic Nanocatalysts" by Daniel Sorvisto of Aalto University. The dataset includes atomic structures, photoabsorption spectra, densities of states, and hot-carrier distributions for modeled systems. Input scripts for reproducing the data are also provided.
Use Cases
- Training predictive models for hot-carrier distributions based on atomic structure data.
- Analyzing the relationship between single-atom dopants and photoabsorption spectra.
- Benchmarking density functional theory calculations for plasmonic nanocatalyst systems.
- Reproducing computational results from the associated scientific article using the provided scripts.
Strengths
- Includes multiple data types (atomic structures, spectra, densities of states) for a cohesive analysis.
- Provides input scripts for full reproducibility of the computational results.
- Associated with a specific, peer-reviewed scientific article for context.
Limitations
- Row count and dataset size are unknown, which may limit suitability assessment.
- Column-level documentation is absent; field semantics must be inferred after download.
- Last update date is unknown; freshness unverified.
Provenance
- Source
- Daniel Sorvisto, Aalto University
- Collection Method
- Computational modeling via density functional theory, as described in the associated article.
- Time Range
- null
- Freshness
- null
- Geography
- null