Abstract
Mass transport in the vicinity of solid-liquid interfaces exhibits complicated characteristics and an essential understanding of their mechanism is of critical importance. The interfaces between SiO_2 and water or IPA (iso-propyl alcohol) are typical system in the semiconductor industry. In the present study, we investigated molecular-scale structures of the adsorption layers of liquid molecules and molecular transport characteristics by using molecular dynamics (MD) simulations in order to clarify the mass transport in the vicinity of the interfaces between SiO_2 and liquids. As typical terminations of SiO_2 surfaces, H- and OH- terminated ones were used and self-diffusion coefficients in the direction parallel to the interface were measured and the mass transfer properties were discussed.
