分子シミュレーションによるシリコンウェハ表面のケミカル汚染物質の吸着挙動

概要

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The adsorption process on the Si wafer was investigated by using molecular mechanics (MM), molecular dynamics (MD), Monte Carlo (MC), and computer graphics. The adsorption energy of organic gaseous contaminants, such as dibutyl phthalate (DBP), dioctyl phthalate (DOP) and low molecular-weight cyclosiloxane (LMCS), on the hydrogen terminated Si surface and its oxide surface, were estimated and compared. The amount of saturated adsorption onto silicon wafer was also calculated. The adsorption isotherm of airborne molecular contaminants, such as dibutyl phthalate (DBP), dioctyl phthalate (DOP) and low molecular-weight cyclosiloxane (LMCS), onto the oxide surface of Si wafer, were estimated and compared. It indicated that the configuration of the adsorbed DBP molecules over its gas concentration of 1.9 μg/m^3 showed multi-layer adsorption. It was indicated that adsorption energy and the amount of the saturated adsorption is a good index to estimate the adsorption properties of organic molecules.
社団法人日本建築学会の論文
2006-01-30