| Au(111)表面自组装硫醇单分子膜的STM成像机理 |
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| 引用本文： | 李斌,曾长淦,李群祥,杨金龙,侯建国,朱清时. Au(111)表面自组装硫醇单分子膜的STM成像机理[J]. 电子显微学报, 2003, 22(3): 189-193 |
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| 作者姓名： | 李斌 曾长淦 李群祥 杨金龙 侯建国 朱清时 |
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| 作者单位： | 中国科学技术大学选键化学重点实验室和结构分析重点实验室,安徽,合肥,230026 |
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| 基金项目： | 国家自然科学基金资助项目 (No .10 0 740 5 8，2 0 0 2 5 3 0 9)，国家重点基础研究发展规划项目基金 (No .G19990 75 3 0 5 )，香港“求是”基金~~ |
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| 摘 要： | 本文利用基于密度泛函理论的算法模拟Au(111)表面紧密堆构型的烷烃硫醇自组装单分子层膜(SAMs)中单分子的扫描隧道显微镜(STM)图像，发现图像细节依赖于偏压和烃链链长，主要由受电子效应影响的形貌效应决定。同时进行了电子结构分析以研究硫醇SAMs的STM成像机制，还发现烷烃硫醇分子中的S原子在Au表面的吸附模式也明显地影响着STM图像细节。
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| 关 键 词： | 金 自组装单分子层膜 烷烃硫醇 扫描隧道显微镜 STM 电子效应 形貌效应 吸附模式 纳米技术 |
| 文章编号： | 1000-6281(2003)03-0189-05 |
STM imaging mechanism for alkanethiol self-assembly monolayers on Au(111) |
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| LI Bin,ZENG Chang gan,LI Qun xiang,YANG Jin long,HOU Jian guo,ZHU Qing shi. STM imaging mechanism for alkanethiol self-assembly monolayers on Au(111)[J]. Journal of Chinese Electron Microscopy Society, 2003, 22(3): 189-193 |
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| Authors: | LI Bin ZENG Chang gan LI Qun xiang YANG Jin long HOU Jian guo ZHU Qing shi |
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| Abstract: | The density functional theory calculations have been performed to simulate scanning tunneling microscopic (STM) images of individual molecules in close packed upright alkanthiol self assembled monolayers (SAMs) on Au(111) surface. The internal patterns in the simulated STM images are dependent on bias voltage and alkanethiol chain length, and have characteristic of the topographic effect modulated by the electronic effect. The electronic structure of the adsorption system was analyzed for discussing STM imaging mechanism of alkanethiol SAMs. Sulfur atom in alkanethiol obviously influences the pattern in STM image by its chemisorption mode on Au(111) surface. |
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| Keywords: | self assembly monolayers alkanethiol scanning tunneling microscope topographic effect adsorption mode |
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