RT Journal Article
T1 Phase diagram of H2 adsorbed on graphene
A1 Gordillo, M.C.
A1 Boronat, J.
K1 Graphene
K1 Monte Carlo simulations
AB The phase diagram of the first layer of H2 adsorbed on top of a single graphene sheet has been calculated by means of a series of diffusion Monte Carlo simulations. We have found that, as in the case of H4e, the ground state of molecular hydrogen is a 3¿×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.
PB American Physical Society
SN 1098-0121
YR 2010
FD 2010-04
LK http://hdl.handle.net/10433/909
UL http://hdl.handle.net/10433/909
LA en
NO Physical Review B - Condensed Matter and Materials Physics, 2010;81(15)
NO Universidad Pablo de Olavide. Departamento de Sistemas Físicos, Químicos y Naturales
DS RIO
RD May 22, 2026