Phase separation of hydrogen atoms adsorbed on graphene and the smoothness of the graphene-graphane interface
نویسندگان
چکیده
The electronic properties of a graphene sheet with attached hydrogen atoms are studied using a modified Falicov-Kimball model on the honeycomb lattice. It is shown that in the ground state this system separates into two phases: fully hydrogenated graphene (graphane) and hydrogen-free graphene. The graphene-graphane boundary acquires a positive interface tension. Therefore, the graphene-graphane interface becomes a straight line, slightly rippled by thermal fluctuations. A smooth interface may be useful for the fabrication of mesoscopic graphene-based devices.
منابع مشابه
H 2 Physisorbed on Graphane
We study the zero-temperature phase diagrams of H2 adsorbed on the three structures predicted for graphane (chair, boat and washboard graphane), using a diffusion Monte Carlo technique. Graphane is the hydrogenated version of graphene, in which each carbon atom changes its hybridization to sp3 and forms a covalent bond with a hydrogen atom. Our results show that the ground state of H2 adsorbed ...
متن کاملGraphene: Here comes graphane? : Article : Nature Chemistry
Another possible modification, which has been predicted theoretically, is the addition of hydrogen atoms to graphene — creating 'graphane' — altering the sp2 carbon atoms to sp3 and thus changing the structure and electronic properties. Now Andre Geim from the University of Manchester and co-workers from Russia and the Netherlands have hydrogenated mechanically exfoliated graphene by exposing i...
متن کاملGeometric Effects on Nanopore Creation in Graphene and on the Impact-withstanding Efficiency of Graphene Nanosheets
Abstract Single- and multilayer graphene sheets (MLGSs) are projectile-resisting materials that can be bombarded by nanoparticles to produce graphene sheets of various sizes and distributions of nanopores. These sheets are used in a variety of applications, including DNA sequencing, water desalination, and phase separation. Here, the impact-withstanding efficiency of graphene nanosheets and the...
متن کاملAnalytical models of approximations for wave functions and energy dispersion in zigzag graphene nanoribbons
Related Articles Effect of in-situ oxygen on the electronic properties of graphene grown by carbon molecular beam epitaxy grown Appl. Phys. Lett. 100, 133107 (2012) Oxygen density dependent band gap of reduced graphene oxide J. Appl. Phys. 111, 054317 (2012) Electronic structures of graphane with vacancies and graphene adsorbed with fluorine atoms AIP Advances 2, 012173 (2012) Transport propert...
متن کامل