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.
Habibi, P. (Creator), Vlugt, T. (Creator), Dey, P. (Creator), Moultos, O. (Creator) (22 Mar 2022). Sample simulation files for "Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide". TU Delft - 4TU.ResearchData. 10.4121/19391945