TY - DATA
T1 - Sample simulation files for "Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide"
PY - 2022/03/22
AU - Parsa Habibi
AU - Thijs Vlugt
AU - Poulumi Dey
AU - Othonas A Moultos
UR - https://data.4tu.nl/articles/dataset/Sample_simulation_files_for_Reversible_Hydrogen_Storage_in_Metal-Decorated_Honeycomb_Borophene_Oxide_/19391945/1
DO - 10.4121/19391945.v1
KW - Hydrogen storage
KW - borophene monolayer
KW - boron
KW - Density Functional Theory
KW - Molecular dynamics
KW - Metal decoration
N2 - 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. <br><br>
ER -