抄録
Mass transport in liquids contacting solid surfaces exhibits complicated characteristics and an essential understanding of their mechanism is of critical importance. The interfaces between Si0_2 and water or IP A (iso-propyl alcohol) are typical system in the semiconductor industry, and the molecular-scale mass transport is being required to improve the lithography and cleaning process. In the present study, molecular dynamics simulations of Si0_2-water and Si0_2-IPA interfaces have been performed in order to investigate molecular-scale structure of the adsorption layers of liquid molecules and molecular transport characteristics.As typical terminations of Si0_2 surfaces, H- and OH-terminated ones were used and behaviors of liquid water and IPA molecules in the vicinity of these surfaces were analyzed.
