Gordillo, M.C.Boronat, Jordi2014-06-052014-06-052013-04Physical Review B - Condensed Matter and Materials Physics, 2013;87(16)1098-0121http://hdl.handle.net/10433/896We 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.application/pdfenAmerican Physical SocietyGrapheneMonte Carlo calculationsjournal articleopen access