Theoretical study of adsorption effects of long chain alkane system in STM images | |
Yin, SX; Wang, C; Qiu, XH; Zeng, QD; Xu, B; Bai, CL | |
刊名 | ACTA CHIMICA SINICA |
2000 | |
卷号 | 58期号:7页码:753-758 |
关键词 | Long Chain Alkane Alkylated Copper(Ii) Phthalocyanine And Porphyrin Two Dimensional Structure Interactions Between Molecules Mechanism Of Stm Imaging Contrast |
ISSN号 | 0567-7351 |
英文摘要 | STM observation shows that long chain alkanes increase the adsorption stability of organic molecules, In this work, the interactions of long chain alkanes adsorbed on graphite surface were simulated by molecular mechanics and the STM imaging mechanism of alkylated phthalocyanine and porphyrin was studied by semiempirical quantum mechanics method of ZINDO/1. and AM1. The calculated results illustrated that the interactions between adsorbed molecule and substrate enhanced the stability and immobility of adsorbate, and the interactions between adsorbed molecules determined the form of two - dimensional structure. Compared the electron density contour of the frontier molecular orbits, it was indicated that the STM image contrast of alkylated Copper(II) phthalocyanine and porphyrin was attributed to the electronic effects of the core of phthalocyanine and porphyrin and topographic effects of alkyl. |
语种 | 英语 |
出版者 | ACTA CHIMICA SINICA |
WOS记录号 | WOS:000088279100005 |
内容类型 | 期刊论文 |
源URL | [http://ir.iccas.ac.cn/handle/121111/76327] |
专题 | 中国科学院化学研究所 |
通讯作者 | Yin, SX |
作者单位 | Chinese Acad Sci, Inst Chem, Ctr Mol Sci, Beijing 100080, Peoples R China |
推荐引用方式 GB/T 7714 | Yin, SX,Wang, C,Qiu, XH,et al. Theoretical study of adsorption effects of long chain alkane system in STM images[J]. ACTA CHIMICA SINICA,2000,58(7):753-758. |
APA | Yin, SX,Wang, C,Qiu, XH,Zeng, QD,Xu, B,&Bai, CL.(2000).Theoretical study of adsorption effects of long chain alkane system in STM images.ACTA CHIMICA SINICA,58(7),753-758. |
MLA | Yin, SX,et al."Theoretical study of adsorption effects of long chain alkane system in STM images".ACTA CHIMICA SINICA 58.7(2000):753-758. |
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