对PTCDA的分子结构及其化学键的形成进行了分析, 并讨论了晶面指数(100)Si单晶的晶格结构。在此基础上, 评述了PTCDA分子在P-Si单晶(100)晶面上生长的机理, 并制备了样品PTCDA/P-Si(100)。利用XRD对样品测试得出, 在P-Si(100)晶面上沉积的PTCDA薄膜中仅存在α物相。利用XPS对样品测试得出, 在其界面层中PTCDA酸酐中的4个羟基O原子与C原子结合, 其结合能为532.4 eV; 苝核基团外围的8个C、H原子以共价键结合, 其结合能为289.0 eV; 在界面处, 悬挂键上的Si原子与PTCDA酸酐中的C、O原子结合, 形成C—Si—O键及C—Si键, 构成了界面层的稳定结构。

The molecular structure and the formation of chemical bonds of organic semiconductor materials PTCDA were analyzed, and the lattice structure of crystal plane index (100)Si single crystal was discussed. On this basis, the mechanism of the growth of PTCDA molecules on the crystal surface of P-Si single crystal(100) was reviewed, and the sample PTCDA/P-Si(100) was prepared. X-ray diffraction(XRD) measurement shows that there are only α-PTCDA phases in the P-Si(100) pace. XPS test shows that the four hydroxyl O atoms in the acid anhydride of PTCDA molecular are covalently bound to the C atom in the interface layer, and the binding energy is 532.4 eV; the eight C and H atoms covalently bind in the periphery of perylene nuclear group, and the binding energy is 289.0 eV. At the interface, Si atoms with 2s and 2p electrons on the surface state danglingbond are bound to the C and O atoms in the acid anhydride of PTCDA molecular to form a C—Si—O bond and C—Si bond, thereby constructing a stable structure of interfacial molecules.