Second layer of H2 and D2 adsorbed on graphene
We report diffusion Monte Carlo calculations on the phase diagrams of para-H2 and ortho-D2 adsorbed on top of a first layer of the same substances on graphene. We found that the ground state of the second layer is a triangular incommensurate solid for both isotopes. The densities for promotion to a...
| Autores: | , |
|---|---|
| Tipo de recurso: | artículo |
| Fecha de publicación: | 2013 |
| País: | España |
| Institución: | Universidad Pablo de Olavide (UPO) |
| Repositorio: | RIO. Repositorio Institucional Olavide |
| Idioma: | inglés |
| OAI Identifier: | oai:rio.upo.es:10433/896 |
| Acceso en línea: | http://hdl.handle.net/10433/896 |
| Access Level: | acceso abierto |
| Palabra clave: | Graphene Monte Carlo calculations |
| Sumario: | We report diffusion Monte Carlo calculations on the phase diagrams of para-H2 and ortho-D2 adsorbed on top of a first layer of the same substances on graphene. We found that the ground state of the second layer is a triangular incommensurate solid for both isotopes. The densities for promotion to a second layer and for the onset of a two-dimensional solid on that second layer compare favorably with available experimental data in both cases. |
|---|