Complex Surface Diffusion Mechanisms of Cobalt Phthalocyanine Molecules on Ag(100)

被引:37
作者
Antczak, Grazyna [1 ]
Kaminski, Wojciech [1 ]
Sabik, Agata [1 ]
Zaum, Christopher [2 ]
Morgenstern, Karina [3 ]
机构
[1] Univ Wroclaw, Inst Expt Phys, PL-50138 Wroclaw, Poland
[2] Leibniz Univ Hannover, D-30167 Hannover, Germany
[3] Ruhr Univ Bochum, Chair Phys Chem 1, Bochum, Germany
关键词
METAL PHTHALOCYANINES; DISTRIBUTIONS; ROTATION; MOTION;
D O I
10.1021/jacs.5b08001
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We used time-lapsed scanning tunneling microscopy between 43 and 50 K and density functional theory (DFT) to explore the basic surface diffusion steps of cobalt phthalocyanine (CoPc) molecules on the Ag(100) surface. We show that the CoPc molecules translate and rotate on the surface in the same temperature range. Both processes are associated with similar activation energies; however, the translation is more frequently observed. Our DFT calculations provide the activation energies for the translation of the CoPc molecule between the nearest hollow sites and the rotation at both the hollow and the bridge sites. The activation energies are only consistent with the experimental findings, if the surface diffusion mechanism involves a combined translational and rotational molecular motion. Additionally, two channels of motion are identified: the first provides only a channel for translation, while the second provides a channel for both the translation and the rotation. The existence of the two channels explains a higher rate for the translation determined in experiment.
引用
收藏
页码:14920 / 14929
页数:10
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