The phase diagrams of 4He 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 Carlo method. For nanotubes narrower than a (10,10) one, the ground state is an incommensurate solid similar to the one found for H2 on the same substrates. For wider nanotubes, the phase with the minimum energy per particle is a liquid layer. Curved √3×√3 registered solids similar to the ones found on graphene and graphite were unstable for all the tubes considered
A quantum Monte Carlo approach, considering all the corrugation effects, was used to calculate the c...
A study is presented of the nature of ordered phases of various gases adsorbed on an isolated carbon...
Helium atoms or hydrogen molecules are believed to be strongly bound within the interstitial channel...
By means of diffusion Monte Carlo calculations, we obtained the phase diagrams of a first and second...
The results of diffusion Monte Carlo calculations on the behavior of He4 adsorbed on the external su...
Diffusion Monte Carlo calculations on the adsorption of He4 in open-ended single-walled (10,10) nano...
By means of diffusion Monte Carlo calculations, we obtained the complete phase diagrams of H2 adsorb...
We acknowledge financial support from Ministerio de Ciencia e Innovación MCIN/AEI/10.13039/501100011...
We report results of diffusion Monte Carlo calculations for both 4He absorbed in a narrow single wal...
We have probed the adsorption property of single-wall carbon nanotube (SWNT) bundles using the tempe...
This is the first paper reporting the results of systematic study of the adsorption of Ar, C6H6 and ...
We present diffusion Monte Carlo calculations of D2 adsorbed inside a narrow carbon nanotube. The on...
The phase diagram at zero temperature of 4He adsorbed on a helium incommensurate triangular solid on...
The objective of this thesis is to developsimulation tools that will allow us to study many phenomen...
A quantum Monte Carlo approach, considering all the corrugation effects, was used to calculate the c...
A quantum Monte Carlo approach, considering all the corrugation effects, was used to calculate the c...
A study is presented of the nature of ordered phases of various gases adsorbed on an isolated carbon...
Helium atoms or hydrogen molecules are believed to be strongly bound within the interstitial channel...
By means of diffusion Monte Carlo calculations, we obtained the phase diagrams of a first and second...
The results of diffusion Monte Carlo calculations on the behavior of He4 adsorbed on the external su...
Diffusion Monte Carlo calculations on the adsorption of He4 in open-ended single-walled (10,10) nano...
By means of diffusion Monte Carlo calculations, we obtained the complete phase diagrams of H2 adsorb...
We acknowledge financial support from Ministerio de Ciencia e Innovación MCIN/AEI/10.13039/501100011...
We report results of diffusion Monte Carlo calculations for both 4He absorbed in a narrow single wal...
We have probed the adsorption property of single-wall carbon nanotube (SWNT) bundles using the tempe...
This is the first paper reporting the results of systematic study of the adsorption of Ar, C6H6 and ...
We present diffusion Monte Carlo calculations of D2 adsorbed inside a narrow carbon nanotube. The on...
The phase diagram at zero temperature of 4He adsorbed on a helium incommensurate triangular solid on...
The objective of this thesis is to developsimulation tools that will allow us to study many phenomen...
A quantum Monte Carlo approach, considering all the corrugation effects, was used to calculate the c...
A quantum Monte Carlo approach, considering all the corrugation effects, was used to calculate the c...
A study is presented of the nature of ordered phases of various gases adsorbed on an isolated carbon...
Helium atoms or hydrogen molecules are believed to be strongly bound within the interstitial channel...