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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

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DataCite Commons2025-07-17 更新2026-05-04 收录
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https://radar.kit.edu/radar/en/dataset/uc9rvb47cz9r04d3
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资源简介:
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
提供机构:
Karlsruhe Institute of Technology
创建时间:
2025-07-17
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