Numerical simulation of carbon arc discharge for graphene synthesis without catalyst

Abstract

In this study, graphene sheets are prepared under a hydrogen atmosphere without a catalyst, and the growth mechanism of graphene by direct current arc discharge is investigated experimentally and numerically. The size and layer numbers of graphene sheets increase with the arc current. Distributions of temperature, velocity, and mass fraction of carbon are obtained through numerical simulations. A high current corresponds to a high saturation temperature, evaporation rate, and mass density of carbon clusters. When the carbon vapor is saturated, the saturation temperatures are 3274.9, 3313.9, and 3363.6 K, and the mass densities are 6.4 × 1022, 8.42 × 1022, and 1.23 × 1023 m−3 under currents of 150, 200, and 250 A, respectively. A hydrogen-induced marginal growth model is used to explain the growth mechanism. Under a high current, the condensation coefficient and van der Waals force increase owing to the higher saturation temperature and mass density of carbon clusters, which is consistent with experimental results.