Abstract
We investigated the influences of both the Si(100) wafer surface conditions and the molecular collision speeds for the adsorption behavior by the molecular dynamics method. In this study, we chose four models of Si(100) wafer, such as the hydrogen-terminated surface, the hydroxy-terminated surface, the oxide surface and the hydrogen-terminated surface with the water molecules. Also, the adsorption of the chemical contaminants, such as Docosahexapentadecan (D5), dibutyl phthalate (DBP), dioctyl phthalate (DOP) and 2-propanol (IPA) which were detected in the environment to manufacture the semiconductor devices, were estimated and compared. We used the cvff as the force field of the molecular dynamics method. As the results, it was confirmed that IPA was more difficult to adsorb to Si surface than the other contaminants. That the chemical contaminants adsorbed onto silicon wafer surface showed a tendency to become easy, when the silicon wafer had water molecules on the surface in the room temperature.
