Publication: Second layer of H2 and D2 adsorbed on graphene
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American Physical Society
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.
Physical Review B - Condensed Matter and Materials Physics, 2013;87(16)