Published April 17, 2023 | Version v1
Dataset Open

Data and code for "Single-Atom Dopants in Plasmonic Nanocatalysts"

  • 1. Aalto University, Finland

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

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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