Strain effect on the thermal transport property of gamma (γ)-graphyne: Fullerenes, Nanotubes and Carbon Nanostructures: Vol 0, No 0

Summary

Graphyne, a brand new two-dimensional carbon allotrope containing each sp and sp2 hybridized states, is a present matter of focus in nanomaterial analysis neighborhood. Taking gamma (γ)-graphyne for instance, we examine the stain impact on its thermal transport properties through the use of the nonequilibrium Inexperienced’s operate strategy. The outcomes present that the thermal conductance will be modulated repeatedly and reversibly by various the energy and path of utilized stain. Although evaluation the phonon dispersion, we discovered that the discount of thermal conductance is especially attributed to the despair of phonon branches and reducing of group velocity. As well as, the discrepancy between our outcomes and molecular dynamic simulations can also be mentioned. It reveals the significance of anharmonic impact on the thermal transport property of stained γ-graphyne. The findings may make clear the potential for utilizing pressure to tuning the thermal conductance of γ-graphyne and thus enhance its thermoelectric efficiency.

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