91 citations · 507 across the 31 of their papers we have counts for
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Second layer of H2 and D2 adsorbed on graphene
M. C. Gordillo, J. Boronat
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 gr…
4He adsorbed outside a single carbon nanotube
M. C. Gordillo, J. Boronat
The phase diagrams of He adsorbed on the external surfaces of single armchair carbon nanotubes with radii in the range 3.42 -- 10.85 Å\ are calculated using the diffusion Monte…
Phase diagram of H2 adsorbed on graphene
M. C. Gordillo, J. Boronat
The phase diagram of the first layer of H adsorbed on top of a single graphene sheet has been calculated by means of a series of diffusion Monte Carlo (DMC) simulations. We hav…
Quantum Fluids in Nanotubes: a Quantum Monte Carlo Approach
M. C. Gordillo, J. Boronat
We review quantum Monte Carlo results on energetic and structure properties of quantum fluids adsorbed in a bundle of carbon nanotubes. Using realistic interatomic interactions the…
4He adsorbed inside (10,10) single walled carbon nanotubes
M. C. Gordillo, J. Boronat, J. Casulleras
Diffusion Monte Carlo calculations on the adsorption of He in open-ended single walled (10,10) nanotubes are presented. We have found a first order phase transition separating…