Open AccessСтационарные состояния односторонне гидрированных листов графена, расположенных на плоских подложках
Author(s) -
А.В. Савин
Publication year - 2020
Publication title -
fizika tverdogo tela
Language(s) - English
Resource type - Journals
eISSN - 1726-7498
pISSN - 0367-3294
DOI - 10.21883/ftt.2020.03.49019.560
Subject(s) - materials science , graphene , substrate (aquarium) , graphite , nickel , hydrogen , dimensionless quantity , carbon fibers , silicon carbide , atom (system on chip) , silicon , hydrogen atom , crystallography , composite material , nanotechnology , metallurgy , chemistry , composite number , organic chemistry , thermodynamics , physics , oceanography , alkyl , computer science , embedded system , geology
The stationary states of graphene sheets partially hydrogenated on one side and lying on flat substrates are examined. It is shown that such sheets can have stable flat and various scrolled structures. The maximum density of hydrogenation at which the flat structure remains energetically the most favorable depends monotonously on the value of the adhesion of the sheet with the substrate. The stronger is the energy of interaction with the substrate, the higher is the maximum possible density of sheet hydrogenation. The dimensionless maximum density of hydrogenation is p=0.12 for the substrate with the surface of crystal ice, for graphite p=0.21, for silicon carbide p=0.28 and p=0.48 for nickel. The simulation allows us to conclude that the maximum hydrogenation of a graphene sheet (one hydrogen atom per two carbon atoms) and the production of a graphone sheet from it can be achieved only by placing the sheet on the surface of crystalline nickel.