Irida-graphene phonon thermal transport <i>via</i> non-equilibrium molecular dynamics simulations
Isaac M. Félix, Raphael M. Tromer, Leonardo D. Machado, Douglas S. Galvão, Luiz Antônio Ribeiro, Marcelo Lopes Pereira
Abstract
at room temperature, significantly lower than that of pristine graphene. This decrease is due to characteristic phonon scattering within Irida-G's porous structure. Additionally, the phonon group velocities and vibrational density of states for Irida-G were analyzed, revealing reduced average phonon group velocities compared to graphene. The thermal conductivity of Irida-G is isotropic and shows significant size effects, transitioning from ballistic to diffusive heat transport regimes as the system length increases. These results suggest that while Irida-G has lower thermal conductivity than graphene, it still holds potential for specific thermal management applications, sharing characteristics with other two-dimensional materials.