The merging mechanisms of poly(3-hexylthiophene) domains revealed through scanning tunneling microscopy and molecular dynamics simulations
The merging mechanisms of poly(3-hexylthiophene) domains revealed through scanning tunneling microscopy and molecular dynamics simulations
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DOI：
10.1016/j.polymer.2020.122266
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发表时间：
2020-03
期刊：
影响因子：
4.6
通讯作者：
Jin-Kuo Li;Ming-Yue Shao;Zhi-Yong Yang;O. Guskova
中科院分区：
文献类型：
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作者：
Jin-Kuo Li;Ming-Yue Shao;Zhi-Yong Yang;O. Guskova
在此，我们原位跟踪物理吸附到石墨上的聚（3-己基噻吩）（P3 HT）域的合并过程，同时保持域结构清晰地解决通过扫描隧道显微镜（STM）。结构域的形状固定，阿米巴/蠕虫状和桥介导的合并机制被揭示。在区域形状固定的扩散中，运动区域服从非连续随机游动原理。公开了扩散和类弹道动力学。此外，不对称域可以显示各向异性运动。在变形虫样的风格，伪足的形成和变化随机，而在蠕虫样的风格，两个永久的部分（头部和身体）的领域形成之前的运动和保持固定的运动。最后，两个结构域的整合被称为桥介导的整合，如果一个小的结构域直接通过动态桥连接到一个大的结构域。分子动力学模拟结果支持P3 HT结构域在石墨表面的运动和旋转的实验结果。
Herein, wein situtrack the merging processes of poly(3-hexylthiophene) (P3HT) domains physisorbed onto graphite while keeping the domain structures clearly resolved through scanning tunneling microscopy (STM). The domain shape-fixed, amoeba/worm-like and bridge-mediated merging mechanisms are revealed. In the domain shape-fixed diffusion, the moving domains obey the principle of the non-continuous random walks. Both diffusive and ballistic-like dynamics are disclosed. Additionally, the asymmetrical domains may show anisotropic movements. In the amoeba-like style, the pseudopodia are formed and changed stochastically while in the worm-like style two permanent parts (head and body) of the domains are formed prior movement and kept fixed in the motions. Finally, the integration of two domains is called a bridge-mediated one, if a small domain is bound to a bigger one directly through a dynamic bridge. The molecular dynamics simulations support the experimental findings of P3HT domain movements and rotations on the graphite surface.