▎ 摘　　要

Graphene has attracted significant interest in recent years due to its unique physical properties. A variety of methods for graphene production has been developed. One of the most promising graphene synthesis techniques for further industrial applications is chemical vapor deposition (CVD), which provides, potentially, high-quality large-area films. While the most commonly used catalysts are Ni and Cu substrates for the CVD processes, the possibilities of graphene synthesis have been demonstrated with the use of other metals as catalytically active substrates. Further improvement of the CVD graphene characteristics and optimization of the process requires a deeper understanding of their dependencies on crystallography of the catalytically active metal substrates. Here we demonstrate the simulations of the dependence of graphene growth on the crystal orientation of the catalyst surface. In these simulations, the carbon solubility in the substrate material (estimated using carbon-metal phase diagrams) and lattice matching of the substrate and graphene (simulated using a specially created computer program) has been taken into account. The developed computer simulation demonstrates a good agreement with experimental data. In particular, it confirms the appropriateness of Cu and Ni surfaces (with orientations (111), (322) and (433)) as substrates for the synthesis of graphene by precipitation. Also in accord with the computer simulations, it is predicted that one of the most promising substrates for graphene growth may be Fe, which combines both a good crystallographic matching of (111) surface to graphene and a low carbon solubility. The graphene synthesis on Fe surface could be performed at temperatures as low as 600-700 degrees C.