Sample simulation files for "Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide"

Dataset

Description

Sample simulation inputs of VASP (5.3.5) for simulating hydrogen storage on 2D borophene oxide. The two directories contain README.txt files that briefly describe the system.
Date made available22 Mar 2022
PublisherTU Delft - 4TU.ResearchData

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