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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.
plasmonic catalysis, time-dependent density-functional theory
plasmonic catalysis, time-dependent density-functional theory
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