2026-10-14T02:56:09Zhttps://www.radar-service.eu/oai/OAIHandler

10.35097/uc9rvb47cz9r04d32026-10-09T10:58:26Zradar4kit

https://dx.doi.org/10.35097/uc9rvb47cz9r04d3 Sireci, Enrico Grüger, Tilman Plessow, Philipp N. Sharapa, D. I. Studt, Felix Modeling the Shape and Stability of Supported Co Nanoparticles under Fischer-Tropsch Conditions via DFT Calculations and Monte Carlo simulations: Insights into CO-Driven Surface Reconstruction Karlsruhe Institute of Technology 2025 Engineering dataset Dataset info:eu-repo/semantics/openAccess https://creativecommons.org/licenses/by/4.0/legalcode Results of MC simulations (lowest energy geometries and energies, as well as energies and CN-profile taken every 5x107 iterations for each run) for all the investigated particles Readme files that explains the structure of the data are stored inside the folder containing the data Monte Carlo DFT Nanoparticles Surface Reconstruction https://publikationen.bibliothek.kit.edu/1000182888 application/x-tar