Phase diagram of H2 adsorbed on graphene

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 $\sqrt{3}\times \sqrt{3}$ 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.

5 pages, 3 figures

References in corpus (5)

• Electric Field Effect in Atomically Thin Carbon Films
• Two Dimensional Atomic Crystals
• Ultrathin epitaxial graphite: 2D electron gas properties and a route toward graphene-based nanoelectronics
• 4He on a single graphene sheet
• Two-dimensional molecular para-hydrogen and ortho-deuterium at zero temperature

Cited by in corpus (11)

• Simulation and understanding of quantum crystals
• Supersolidity in quantum films adsorbed on graphene and graphite
• Novel behaviors of monolayer quantum gases on Graphene, Graphane and Fluorographene
• Tuneable defect interactions and supersolidity in dipolar quantum gases on a lattice potential
• Phase transitions of H2 adsorbed on the surface of single carbon nanotubes
• Second layer of H2 and D2 adsorbed on graphene
• Supersolidity in the second layer of $para$-H${}_2$ adsorbed on graphite
• Zero-temperature phase diagram of D${}_2$ physisorbed on graphane
• Adsorption of parahydrogen on graphene
• H2 superglass on an amorphous carbon substrate
• Phases of ${}^4$He and H${}_2$ adsorbed on a single carbon nanotube