Silicon dioxide surface reconstruction stimulated by adsorption interaction
Silicon dioxide surface reconstruction stimulated by adsorption interaction
复制标题
吸附相互作用刺激二氧化硅表面重建
DOI：
10.1007/s10947-007-0037-5
复制
发表时间：
2007
影响因子：
0.8
通讯作者：
F. Dultsev
中科院分区：
文献类型：
--
作者：
F. Dultsev
采用MM2分子力学方法对二氧化硅表面因吸附H2O、O2、NH3、HF等气体而形成的吸附络合物进行计算。建模结果与实验数据吻合较好；这些结果解释了为什么吸附后薄膜厚度会减小，并支持我们关于吸附分子刺激表面层重建的假设。
The MM2 molecular mechanics method is used for calculations on the adsorption complex formed on the surface of silicon dioxide due to adsorption of gases such as H2O, O2, NH3, HF. The results of modeling are in good agreement with experimental data; these results explain why film thickness decreases after adsorption and support our hypothesis about reconstruction of the surface layer stimulated by the adsorbed molecule.