Published April 17, 2023
| Version v1
Dataset
Open
Data and code for "Single-Atom Dopants in Plasmonic Nanocatalysts"
Description
The data includes atomic structures, photoabsorption spectra, densities of states, and hot-carrier distributions of the systems modeled in the article "Single-Atom Dopants in Plasmonic Nanocatalysts" by Daniel Sorvisto et al.
The input scripts for reproducing the data are also included.
See README.md in the archive for a detailed description.
Files
dataset.zip
Files
(13.9 MB)
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Additional details
Related works
- Is supplement to
- Journal article: 10.1021/acs.jpcc.3c01998 (DOI)
- Preprint: arXiv:2301.08217 (arXiv)
Funding
- Plasmonic nanocatalysts for a sustainable future (PLASMOCAT) 332429
- Research Council of Finland