碱金属卤化物（001）表面上的N，N '-二甲基二萘嵌苯-3，4，9，10-双（二甲酰亚胺）
N,N'-dimethylperylene-3,4,9,10-bis(dicarboximide) on alkali halide(001) surfaces
摘要：
本文研究了N，N '-二甲基苝-3，4，9，10-二甲酰亚胺（DiMe-PTCDI）在KBr（001）和NaCl（001）表面的生长。实验结果已经实现了在超高真空条件下，在室温下使用调频原子力显微镜。在两种基板上，DiMe-PTCDI形成分子线，通常宽度为10 nm，在低覆盖率下长度可达600 nm。所有的线都沿着碱金属卤化物（001）衬底的[110]方向（或[1 $\bar{1}$ 0]方向）生长。没有分子润湿层：可以在导线之间实现基底的原子分辨率。线是移动的KBr表面上，但实质上更稳定的NaCl。基于静电学的考虑，提出了离子晶体表面砖墙排列的p（2x2）超结构。使用经验势的计算和蒙特卡罗模拟揭示了两种衬底的第一层内分子的可能生长机制，也显示了NaCl（001）的显著更高的结合能。对于KBr，p（2 × 2）超结构被证实的模拟，NaCl，一个密度较小，不相称的超结构预测。
英文摘要：
The growth of N,N'-dimethylperylene-3,4,9,10-bis(dicarboximide) (DiMe-PTCDI) on KBr(001) and NaCl(001) surfaces has been studied. Experimental results have been achieved using frequency modulation atomic force microscopy at room temperature under ultra-high vacuum conditions. On both substrates, DiMe-PTCDI forms molecular wires with a width of 10 nm, typically, and a length of up to 600 nm at low coverages. All wires grow along the [110] direction (or [1$\bar{1}$0] direction, respectively) of the alkali halide (001) substrates. There is no wetting layer of molecules: Atomic resolution of the substrates can be achieved between the wires. The wires are mobile on KBr surface but substantially more stable on NaCl. A p(2 x 2) superstructure in brickwall arrangement on the ionic crystal surfaces is proposed based on electrostatic considerations. Calculations and Monte-Carlo simulations using empirical potentials reveal possible growth mechanisms for molecules within the first layer for both substrates, also showing a significantly higher binding energy for NaCl(001). For KBr, the p(2 x 2) superstructure is confirmed by the simulations, for NaCl, a less dense, incommensurate superstructure is predicted.
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