Guo Qinmin, Huang Min, Lu Shuangzan, Cao Gengyu
State Key Laboratory of Magnetic Resonance and Atomic and Molecular Physics, Wuhan Institute of Physics and Mathematics, Chinese Academy of Sciences, Wuhan 430071, People's Republic of China.
Nanotechnology. 2015 Jul 10;26(27):275603. doi: 10.1088/0957-4484/26/27/275603. Epub 2015 Jun 17.
Tailoring of the assembly structure of organic molecular monolayer is of great importance to improve the performance of molecular devices. In this work, a typical ionic compound, namely KCl, was used to mediate the rearrangement of 3, 4, 9, 10-perylene tetracarboxylic dianhydride (PTCDA) monolayer on Ag(100). Combined scanning tunneling microscopy (STM) and low energy electron diffraction (LEED) results indicate that both molecule and molecular superlattice would rotate after the dosing of KCl. The density functional theory calculation shows that KCl would exist in the form of molecules rather than ions on Ag(100) and demonstrates that experimentally observed structural transition induced by KCl molecules is energetically favored.
定制有机分子单层的组装结构对于提高分子器件的性能至关重要。在这项工作中，一种典型的离子化合物，即氯化钾（KCl），被用于介导3,4,9,10-苝四羧酸二酐（PTCDA）单层在Ag(100)上的重排。扫描隧道显微镜（STM）和低能电子衍射（LEED）的联合结果表明，在加入KCl后，分子和分子超晶格都会发生旋转。密度泛函理论计算表明，KCl在Ag(100)上以分子而非离子的形式存在，并证明了实验观察到的由KCl分子诱导的结构转变在能量上是有利的。
