Abstract—A simple scheme for estimating the adsorption energy of polar molecules on solid state substrates has been proposed within the Harrison bond orbitals method. Analytical expressions are obtained for the ionic and metallic components of the adsorption energy for diatomic and tetraatomic molecules. The adsorption of GaCl and AlCl₃ on a semiconductor substrate is considered as an example.

中文翻译：

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极性分子在固体基质上的吸附

摘要—在Harrison键轨道方法中提出了一种简单的方案，用于估计极性分子在固态基质上的吸附能。获得了对双原子和四原子分子的吸附能的离子和金属成分的解析表达式。以GaCl和AlCl ₃在半导体基板上的吸附为例。