2026-04-13T06:34:43Zhttps://recercat.cat/oai/requestoai:recercat.cat:2117/3983442026-01-16T04:10:24Zcom_2072_1033col_2072_452950
RECERCAT
author
Gordillo Bargueño, Maria Carmen
author
Boronat Medico, Jordi
2023-10-01
The influence of attractive boron impurities, embedded on a graphene sheet, on the phase diagrams of 4He and H2 adsorbed on top was studied using the diffusion Monte Carlo method. The doping of graphene was made by distributing the boron atoms following the same pattern found in an experimentally synthesized substrate. Our results show that while the different incommensurate solid phases of both adsorbates remain largely unchanged after doping, the liquid/gas equations of state are significantly different from the ones on pristine graphene. Doping graphene produces new translationally invariant stable phases for 4He, depending on the concentration of boron impurities, but makes the H2 ground state to remain solid. In addition, several new registered phases appear for both adsorbates.Postprint (published version)
http://creativecommons.org/licenses/by-nc-nd/4.0/ Restricted access - publisher's policy Attribution-NonCommercial-NoDerivatives 4.0 International
Àrees temàtiques de la UPC::Física
Graphene
Monte Carlo method
Graphene
Diffusion Monte Carlo method
Quantum fluids & solids
Grafè
Montecarlo, Mètode de
Phases of He 4 and H2 adsorbed on doped graphene
Article