Sample simulation files for "Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide"
doi: 10.4121/19391945.v1
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doi: 10.4121/19391945
doi: 10.4121/19391945
Datacite citation style:
Parsa Habibi; Vlugt, Thijs; Poulumi Dey; Othonas A Moultos (2022): Sample simulation files for "Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide". Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/19391945.v1
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Dataset
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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
- 2022-03-22 first online, published, posted
publisher
4TU.ResearchData
format
Vasp input files
associated peer-reviewed publication
Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide
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.
DATA
files (1)
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382,985 bytesMD5:
41060c1d36fe3eeca1287bf57c6342b1
B2O.zip - download all files (zip)
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