title: Temperature distribution in graphene doped with nitrogen and graphene with grain boundary.
abstract: Graphene doped with nitrogen exhibits unique properties different than perfect graphene. The temperature distribution in nitrogen-doped graphene (N-graphene) and in the graphene with grain boundary is investigated using molecular dynamics simulations. The temperature distribution in nitrogen-doped graphene nanoribbon, containing two types of grain boundaries, was found to be sensitive to the number of dopants and grain boundary. We also found that there is a remarkable temperature gap in the temperature profile of N-graphene nanoribbon-containing a grain boundary. For any doping ratio N/C we found that the nitrogen atoms enhance roughness of N-graphene and decrease thermal conductivity.
authors.affiliation: Department of Physics, Science and Research Branch, Islamic Azad University, Tehran, Iran.
authors.forename: Erfan
authors.initials: E
authors.lastname: Lotfi
authors.affiliation: Department of Physics, Shahid Rajaee Teacher Training University, Lavizan, Tehran 16788, Iran. Electronic address: neekamal@srttu.edu.
authors.forename: M
authors.initials: M
authors.lastname: Neek-Amal
mesh_terms: D006108:Graphite / Q000737:chemistry*; D056004:Molecular Dynamics Simulation; D049329:Nanostructures / Q000737:chemistry; D009584:Nitrogen / Q000737:chemistry*; D013696:Temperature; D013814:Thermal Conductivity
chemical_list: D006108:Graphite; D009584:Nitrogen
keywords: Grain boundaries; Graphene; Molecular dynamics simulation; Nitrogen-doped graphene; Temperature distribution; Thermal fluctuation