Isotopic effects on the thermal conductivity of graphene nanoribbons: localization mechanism

Abstract

Thermal conductivity of graphene nanoribbons (GNR) with length 106~Å and width 4.92~Å after isotopic doping is investigated by molecular dynamics with quantum correction. Two interesting phenomena are found: (1) isotopic doping reduces thermal conductivity effectively in low doping region, and the reduction slows down in high doping region; (2) thermal conductivity increases with increasing temperature in both pure and doped GNR; but the increasing behavior is much more slowly in the doped GNR than that in pure ones. Further studies reveal that the physics of these two phenomena is related to the localized phonon modes, whose number increases quickly (slowly) with increasing isotopic doping in low (high) isotopic doping region.

6 figs

References in corpus (4)

• Quantum thermal transport in nanostructures
• Thermal rectification in carbon nanotube intramolecular junctions: Molecular dynamics calculations
• Quantum thermal transport from classical molecular dynamics
• Unusual field and temperature dependence of Hall effect in graphene

Cited by in corpus (21)

• Thermal Properties of Isotopically Engineered Graphene
• Phonon Transport in Graphene
• Thermal and Thermoelectric Properties of Graphene
• Graphene Versus MoS2: a Short Review
• Thermal transport in nanostructures
• Tuning the thermal conductivity of graphene nanoribbons by edge passivation and isotope engineering: a molecular dynamics study
• Thermoelectric properties of finite graphene antidot lattices
• A Review on Flexural Mode of Graphene: Lattice Dynamics, Thermal Conduction, Thermal Expansion, Elasticity, and Nanomechanical Resonance
• Unexpected Thermal Conductivity Enhancement in Pillared Graphene Nanoribbon with Isotopic Resonance
• Modulation of Thermal Conductivity in Kinked Silicon Nanowires: Phonon Interchanging and Pinching Effects
• Computational study of the thermal conductivity in defective carbon nanostructures
• Study of Thermal Properties of Graphene-Based Structures Using the Force Constant Method
• Localization of phonons in mass disordered alloys - A typical medium dynamical cluster approach
• Computational Characterization of the Recently Synthesized Pristine and Porous 12-Atom-Wide Armchair Graphene Nanoribbon
• Polar Surface Effects on the Thermal Conductivity in ZnO Nanowires: a Shell-Like Surface Reconstruction-Induced Preserving Mechanism
• Isotopic effects in structural properties of graphene
• Registry Effect on the Thermal Conductivity of Few-Layer Graphene
• High thermoelectric performance in excitonic bilayer graphene
• Dynamic in situ Control of Heat Rectification in Graphene Nano Ribbons using Electric Field-induced Strain
• Topology as a Design Variable for Multiproperty Engineering in Synthesized 4-5-6-8 Carbon Nanoribbons
• Thermoelectric properties of disordered graphene antidot devices