并四苯在Si(100)-2x1表面的化学吸附

The chemisorption of tetracene on Si(100)-2x1 surface.

作者信息

Mao Hongying, Guan Dandan, Chen Meiliang, Dou Weidong, Song Fei, Zhang Hanjie, Li Haiyang, He Pimo, Bao Shining

机构信息

Department of Physics, Zhejiang University, Hangzhou 310027, China.

出版信息

J Chem Phys. 2009 Jul 28;131(4):044703. doi: 10.1063/1.3190200.

DOI:10.1063/1.3190200

PMID:19655905

Abstract

The adsorption of tetracene on Si(100)-2x1 substrate has been studied by ultraviolet photoemission spectroscopy (UPS). Six features deriving from the organic material are located at 1.22, 2.41, 3.63, 4.67, 7.11, and 8.77 eV below the Fermi level. These features shift in binding energy with increasing the thickness of the organic film. In the case of a monolayer, angle-resolved UPS measurements suggest that the molecular plane is parallel to the substrate. Further theoretical density functional theory calculation reveals the most stable structure of tetracene molecule on Si substrate in which six covalent Si-C chemical bonds are formed between carbon atoms of the tetracene molecule and the Si atoms on the substrate.

摘要

通过紫外光电子能谱（UPS）研究了并四苯在Si(100)-2x1衬底上的吸附情况。源于有机材料的六个特征峰位于费米能级以下1.22、2.41、3.63、4.67、7.11和8.77电子伏特处。这些特征峰的结合能会随着有机薄膜厚度的增加而发生移动。对于单层情况，角分辨UPS测量表明分子平面与衬底平行。进一步的理论密度泛函理论计算揭示了并四苯分子在Si衬底上最稳定的结构，其中并四苯分子的碳原子与衬底上的Si原子之间形成了六个共价Si-C化学键。