@misc{https://doi.org/10.4121/19391960.v1,
  doi = {10.4121/19391960.v1},
  url = {https://data.4tu.nl/articles/dataset/Sample_simulation_files_for_Hydrogen_Dissociation_in_Li-Decorated_2D_Boron-Hydride_and_Borophene_An_Ab-Initio_Study_/19391960/1},
  author = {Habibi, Parsa and Vlugt, Thijs and A Moultos, Othonas and Dey, Poulumi},
  keywords = {Hydrogen storage, borophene monolayer, boron, metal decoration, Molecular dynamics, Density functional theory, Nudged Elastic Band Method},
  title = {Sample simulation files for "Hydrogen Dissociation in Li-Decorated 2D Boron-Hydride and Borophene: An Ab-Initio Study"},
  publisher = {4TU.ResearchData},
  year = {2022},
  copyright = {CC0},
}