- Article
Physi-Sorption of H2 on Pure and Boron–Doped Graphene Monolayers: A Dispersion–Corrected DFT Study
- Iffat Nayyar,
- Bojana Ginovska,
- Abhijeet Karkamkar,
- Thomas Gennett and
- Thomas Autrey
High-surface-area carbons are of interest as potential candidates to store H2 for fuel–cell power applications. Earlier work has been ambiguous and inconclusive on the effect of boron doping on H2 binding energy. Here, we describe a systematic...