Double vacancy on BN layer - A natural trap for Hydrogen Molecule
At a Glance
Section titled āAt a Glanceā| Metadata | Details |
|---|---|
| Publication Date | 2015-01-14 |
| Journal | Journal of Physics Conference Series |
| Authors | J.S. Arellano |
| Institutions | Universidad AutĆ³noma Metropolitana |
| Citations | 2 |
Abstract
Section titled āAbstractāA pair of vacancies, one of boron and other of nitrogen atom at a flat layer becomes a natural trap to capture a hydrogen molecule at the center of the cavity defined by the empty space left by the lack of a nitrogen and a boron atom at the perfect BN layer formed by 16 N atoms and 16 B atoms. The adsorption of the hydrogen molecule is compared with the equivalent graphene layer with a pair of carbon vacancies. The little increase in the BN cell parameter respect to the graphene cell parameter, besides the differences between N, B and C atoms helps to explain the easier adsorption on the defective BN layer.