Effect of Stone–Wales defects on the thermal conductivity of graphene

Abstract

The problem of phonon scattering by strain fields caused by Stone-Wales (SW) defects in graphene is studied in the framework of the deformation potential approach. An explicit form of the phonon mean free path due to phonon-SW scattering is obtained within the Born approximation. The mean free path demonstrates a specific q-dependence varying as q (-3) at low wavevectors and taking a constant value at large q. The thermal conductivity of graphene nanoribbons (GNRs) is calculated with the three-phonon umklapp, SW and rough edge scatterings taken into account. A pronounced decrease of the thermal conductivity due to SW defects is found at low temperatures whereas at room temperatures and above the phonon-phonon umklapp scattering becomes dominant. A comparison with the case of vacancy defects shows that they play more important role in the reduction of the thermal conductivity in GNRs over a wide temperature range.

Two-dimensional WS2/MoS2 heterostructures: properties and applications

“…Methods such as chemical doping, 168 chemical functionalization, 169 strain engineering, 170 defect engineering, [171][172][173][174] branching, [175][176][177] and heterostructure formation [178][179][180] have been reported to improve the thermoelectric properties of 2D materials. Heterostructures exhibit excellent thermoelectric properties due to the introduction of interfaces.…”

Growth, charge and thermal transport of flowered graphene

“…In pristine systems, the main phonon scattering mechanism is anharmonicity, manifested in three-phonon processes, and graphene owes its high thermal conductivity to the high density of states of its flexural phonon branch at low energies, together with a symmetry-induced selection rule for three-phonon scattering processes [48]. Several theoretical studies have also addressed the broader problem of thermal transport in defect-laden graphene [49][50][51][52][53][54][55] and graphene nanostructures [56][57][58]. However, in general those studies use either classical molecular dynamics or simple parametric models, both of which fail to give a detailed insight into the phonon physics underpinning the complex transport behavior in these systems.…”

Phosphorene and Graphene Nanoribbons with Vacancies in Magnetic Field

“…It means that they have not a common period, so, the magnetic elementary cell is infinite and we can do only an estimate of the solution. This is also the case of the structure containing the Stone-Wales defects [14] (periodically repeating combination of the pentagons and the heptagons - Fig. 8).…”

“…These vacancies can have a significant impact on the thermal properties [14]. We investigate the influence of the magnetic field on the electronic spectrum for some simple cases of a periodic placement of the vacancies in the edge structure.…”