在本篇論文中，我們提供了一個新的方法研究三原子分子在矽表面之吸附行為。我們在吸附微量水分子之矽表面上，曝上氯分子飽和表面之活性鍵，並使用掃描式穿隧顯微鏡觀察吸附在水分子旁之氯原子形貌。實驗結果顯示使用此方法能夠讓我們輕易地分辨水分子裂解式吸附在表面之H基與OH基，並且成功地發現並統計水分子在表面的各種吸附形態。另外我們也探討水分子與表面孤立活性鍵之間的吸附行為，並且第一次看見水分子與單一活性鍵之吸附反應。此外二維環境變因影響活性鍵與吸附物之反應也在本篇論文中被提出來討論。藉由觀察四周吸附H與部分吸附OH基之孤立活性鍵與水分子之反應，我們發現環境變因確實會影響表面之吸附行為。

Three atomic molecules adsorption on the Si(100) surface was studied. In this thesis, we investigated the reaction between water molecules and isolated single and pair dangling bonds. Adsorption of single dangling bonds with water molecules was first observed. The influence of two dimensional surrounding on the reaction was also discussed by comparing the reaction behavior of the dangling bonds surrounded by the hydrogen terminated and the partial hydroxyl terminated surface. We also offer a new approach to investigate the adsorption of water by introducing chlorine to the partial water terminated surface. By this method, we could easily identify the hydrogen and hydroxyl on the surface, which were dissociated form the water molecule. New types of adsorption of water on the Si(100) were found and showed and cast in this thesis.

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