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

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posted on 22.03.2022, 15:09 by Parsa HabibiParsa Habibi, Thijs VlugtThijs Vlugt, Poulumi Dey, Othonas A Moultos
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.


History

Publisher

4TU.ResearchData

Format

Vasp input files

Organizations

TU Delft, Faculty of Mechanical, Maritime and Materials Engineering, Department of Process & Energy, Engineering Thermodynamics; TU Delft, Faculty of Mechanical, Maritime and Materials Engineering, Department of Materials Science and Engineering.