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Register a new userLayer and size dependence of thermal conductivity in multilayer graphene nanoribbons
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Using non-equilibrium molecular dynamics method(NEMD), we have found that the thermal conductivity of multilayer graphene nanoribbons monotonously decreases with the increase of the number of layers, such behavior can be attributed to the phonon resonance effect of out-of-plane phonon modes. The reduction of thermal conductivity is found to be proportional to the layer size, which is caused by the increase of phonon resonance. Our results are in agreement with recent experiment on dimensional evolution of thermal conductivity in few layer graphene.
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We investigated the thermal conductivity K of graphene ribbons and graphite slabs as the function of their lateral dimensions. Our theoretical model considered the anharmonic three-phonon processes to the second-order and included the angle-dependent phonon scattering from the ribbon edges. It was found that the long mean free path of the long-wavelength acoustic phonons in graphene can lead to an unusual non-monotonic dependence of the thermal conductivity on the length L of a ribbon. The effect is pronounced for the ribbons with the smooth edges (specularity parameter p>0.5). Our results also suggest that - contrary to what was previously thought - the bulk-like 3D phonons in graphite can make a rather substantial contribution to its in-plane thermal conductivity. The Umklapp-limited thermal conductivity of graphite slabs scales, for L below ~ 10 micrometers, as log(L) while for larger L, the thermal conductivity approaches a finite value following the dependence K_0 - AtimesL^-1/2, where K_0 and A are parameters independent of the length. Our theoretical results clarify the scaling of the phonon thermal conductivity with the lateral sizes in graphene and graphite. The revealed anomalous dependence K(L) for the micrometer-size graphene ribbons can account for some of the discrepancy in reported experimental data for graphene.
We study the effect of SiC substrate on thermal conductivity of epitaxial graphene nanoribbons (GNRs) using the nonequilibrium molecular dynamics method. We show that the substrate has strong interaction with single-layer GNRs during the thermal transport, which largely reduces the thermal conductivity. The thermal conductivity characteristics of suspended GNRs are well preserved in the second GNR layers of bilayer GNR, which has a weak van der Waals interaction with the underlying structures. The out-of-plane phonon mode is found to play a critical role on the thermal conductivity variation of the second GNR layer induced by the underlying structures.
Graphene exhibits extraordinary electronic and mechanical properties, and extremely high thermal conductivity. Being a very stable atomically thick membrane that can be suspended between two leads, graphene provides a perfect test platform for studying thermal conductivity in two-dimensional systems, which is of primary importance for phonon transport in low-dimensional materials. Here we report experimental measurements and non-equilibrium molecular dynamics simulations of thermal conduction in suspended single layer graphene as a function of both temperature and sample length. Interestingly and in contrast to bulk materials, when temperature at 300K, thermal conductivity keeps increasing and remains logarithmic divergence with sample length even for sample lengths much larger than the average phonon mean free path. This result is a consequence of the two-dimensional nature of phonons in graphene and provides fundamental understanding into thermal transport in two-dimensional materials.
The universality of $k$-dependent electron-photon and electron-phonon matrix elements is discussed for graphene nanoribbons and carbon nanotubes. An electron undergoes a change in wavevector in the direction of broken translational symmetry, depending on the light polarization direction. We suggest that this phenomenon originates from a microscopic feature of chirality.
Modifying phonon thermal conductivity in nanomaterials is important not only for fundamental research but also for practical applications. However, the experiments on tailoring the thermal conductivity in nanoscale, especially in two-dimensional materials, are rare due to technical challenges. In this work, we demonstrate in-situ thermal conduction measurement of MoS2 and find that its thermal conductivity can be continuously tuned to a required value from crystalline to amorphous limits. The reduction of thermal conductivity is understood from phonon-defects scatterings that decrease the phonon transmission coefficient. Beyond a threshold, a sharp drop in thermal conductivity is observed, which is believed to be a crystalline-amorphous transition. Our method and results provide guidance for potential applications in thermoelectrics, photoelectronics, and energy harvesting where thermal management is critical with further integration and miniaturization.
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