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arXiv · 1005.2115

Phase diagram of H2 adsorbed on graphene

M. C. Gordillo·J. Boronat
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Abstract

The phase diagram of the first layer of H$_2$ adsorbed on top of a single graphene sheet has been calculated by means of a series of diffusion Monte Carlo (DMC) simulations. We have found that, as in the case of $^4$He, the ground state of molecular hydrogen is a $\sqrt3 \times \sqrt3$ commensurate structure, followed, upon a pressure increase, by an incommensurate triangular solid. A striped phase of intermediate density was also considered, and found lying on top of the equilibrium curve separating both commensurate and incommensurate solids.

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M. C. Gordillo, J. Boronat. 2010-05-12. Phase diagram of H2 adsorbed on graphene. https://doi.org/10.1103/physrevb.81.155435

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