cff-version: 1.2.0
abstract: "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. <div><br></div><div><br></div>"
authors:
  - family-names: Habibi
    given-names: Parsa
    orcid: "https://orcid.org/0000-0002-7185-0788"
  - family-names: Vlugt
    given-names: Thijs
    orcid: "https://orcid.org/0000-0003-3059-8712"
  - family-names: Dey
    given-names: Poulumi
  - family-names: A Moultos
    given-names: Othonas
title: "Sample simulation files for &#34;Reversible Hydrogen Storage in Metal-Decorated Honeycomb Borophene Oxide&#34;"
keywords:
version: 1
identifiers:
  - type: doi
    value: 10.4121/19391945.v1
license: CC0
date-released: 2022-03-22