Chemical vapor deposition (CVD) has become an important method for growing graphene on copper substrates in order to obtain graphene samples of high quality and density. This paper mainly focuses on the fluid flow and transmission phenomenon in the reactor under different process operating conditions and reactor structures. Two macroscopic physical parameters that are established as important for CVD growth are temperature and pressure. Based on the special structure of a miniature T45-R Tesla valve acting as a CVD reactor structure, this study uses numerical simulation to determine the effect of the pressure field inside a Tesla valve on graphene synthesis and temperature variation on the graphene surface deposition rate. This macroscopic numerical modeling was compared to the existing straight tube model and found to improve the graphene surface deposition rate by two orders of magnitude when the 1290–1310 K reaction temperature range inside the Tesla valve was maintained and verified through the experiment. This study provides a reference basis for optimizing the reactor geometry design and the effects of changing the operating parameters on carbon deposition rates during a CVD reaction, and will furthermore benefit future research on the preparation of high-quality, large-area, and high-density graphene by CVD.

A TiB₂ wettable cathode coating was deposited on a graphite carbon cathode material via atmospheric plasma spraying (APS). The microstructure and phase composition of the TiB₂ coating were analyzed via scanning electron microscopy (SEM), X-ray diffraction (XRD), and energy-dispersive X-ray spectroscopy (EDS). The wettability and corrosion resistance of the coating were studied in a molten-aluminum electrolytic system. The results showed that the surface of the TiB₂ coating prepared via plasma spraying was flat and that the main phase of the coating was TiB₂. The wettability between the TiB₂ coating and liquid aluminum was better than that between graphite cathode carbon block and liquid aluminum. The abilities of the TiB₂ coating and graphite cathode carbon block to resist sodium (Na) penetration and prevent molten salt corrosion were compared through a corrosion test. The TiB₂ coating was found to have better resistance to Na penetration and better refractory cryolite corrosion resistance than graphite cathode carbon block.

The process of graphene growth by CVD involves a series of complex gas-phase surface chemical reactions, which generally go through three processes, including gas phase decomposition, surface chemical reaction, and gas phase diffusion. The complexity of the CVD process for growing graphene is that it involves not only chemical reactions but also mass, momentum, and energy transfer. To solve these problems, the method of numerical simulation combined with the reactor structure optimization model provides a good tool for industrial production and theoretical research to explore the influencing factors of the CVD growth of graphene. The objective of this study was to establish a simplified reaction model for the growth of graphene by chemical vapor deposition(CVD) in a vertical rotating disk reactor (VRD). From a macroscopic modeling perspective, computational fluid dynamics (CFD) was used to investigate the conditions for the growth of graphene by chemical vapor deposition in a high-speed rotating vertical disk reactor on a copper substrate surface at atmospheric pressure (101,325 Pa). The effects of gas temperature, air inlet velocity, base rotation speed, and material ratio on the surface deposition rate of graphene in a VRD reactor were studied, and the technological conditions for the preparation of graphene via the CVD method in a VRD reactor based on a special structure were explored. Compared with existing models, the numerical results showed the following: the ideal growth conditions of graphene prepared using a CVD method in a VRD reactor involve a growth temperature of 1310 K, an intake speed of 470 mL/min, a base speed of 300 rpm, and an H₂ flow rate of 75 sccm; thus, more uniform graphene with a better surface density and higher quality can be obtained. The effect of the carbon surface deposition rate on the growth behavior of graphene was studied using molecular dynamics (MD) from a microscopic perspective. The simulation showed that the graphene surface deposition rate could control the nucleation density of graphene. The combination of macro- and microsimulation methods was used to provide a theoretical reference for the production of graphene.

A study of boron impurities deposited on a Si(100) surface in a SiHCl₃-BCl₃-H₂ system is reported in this paper, using periodic density functional theory with generalized gradient approximation (GGA). The results show that the discrete distances of BCl₃ and SiHCl₃ from the surface of the Si(100) unit cell are 1.873 Å and 2.340 Å, respectively, and the separation energies are −35.2549 kcal/mol and −10.64 kcal/mol, respectively. BCl₃ and SiHCl₃ are mainly adsorbed on the surface of the Si(100) unit cell in particular molecular orientations: the positive position and the hydrogen bottom-two-front position from the analysis of the bond length change and adsorption energy. The adsorption of SiHCl₃ and BCl₃ is accompanied by a charge transfer from the molecule to the surface of the unit cell of 0.24 and 0.29 eV, respectively. BCl₃ reacts more readily than SiHCl₃ with the Si(100) surface, resulting in the deposition of boron impurities on the polysilicon surface.