(560ik) Reaction Mechanism Modeling of By-Products in Semiconductor Manufacturing Process Using Reaction Mechanism Generator (RMG)

The semiconductor manufacturing process is one of the biggest industries, and researchers have studied a lot of research to improve it, but there is not much research on the by-products formed from the process. However, with increasing interest in the environment and safety, it is necessary to study the kinds of the by-products and the environmental and safety problems that each product may cause. For this reason, in this study, we investigate the mechanism of by-products generated by semiconductor process and compute the kind and amount of the products produced. Preferentially, construct database of the chemical reactant used in the semiconductor process, find the main reaction path using the open source program RMG, and calculate the sort and amount of the by-products formed by the main mechanism using the program such as Chemkin. In this way, the main reaction mechanism for the semiconductor process is modeled, and the type and amount of the by-products coming out of the reaction are calculated and predicted so that it is possible to know whether toxic substances are present in advance before the new process and handle it. Furthermore, in addition to Chemkin, which is optimized for surface and gas phase reactions, the use of Gaussian DFT tool will also enable handling of liquid phase processes.