Exploringelectron-phonondynamicsinlow-dimensional carbon nanostructures

Abstract

Carbon nanotubes (CNTs) and graphene nanoribbons (GNRs), as low-dimensional carbon nanostructures, possess exceptional electronic and thermal properties influenced by electron-phonon interactions. This research utilizes full-band atomistic simulations and quantum transport models to explore these interactions in a (10,0) zigzag CNT and a 10-armchair GNR. We assess phonon scattering impacts on electron mobility, thermal conductivity, and conductance, focusing on the roles of dimensionality, edge effects, and temperature. Our findings indicate that the tubular symmetry of CNTs results in reduced scattering rates, with electron-phonon coupling yielding rates of 10¹²-10¹³ s⁻¹, enhancing mobility (mean free path ~100 nm) and thermal conductivity (~2000 W/m•K). Conversely, GNRs exhibit stronger edge-driven phonon coupling, increasing scattering by 20-25% (rates up to 1.2 × 10¹³ s⁻¹) and reducing mobility (~60 nm) and conductivity (~1500 W/m•K), as evidenced by phonon density of states (Fig. 1). Temperature exacerbates these effects, with GNRs showing greater sensitivity. These insights highlight CNTs’ advantages in high-mobility applications and suggest edge engineering for GNR optimization, offering valuable guidance for designing nanoelectronic devices and thermal management systems using carbon nanostructures.