Berlin 2018 – wissenschaftliches Programm

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O: Fachverband Oberflächenphysik

O 85: Poster: Tribology and Misc.

O 85.8: Poster

Mittwoch, 14. März 2018, 18:15–20:30, Poster A

simulation of surface assembly and diffusion — •zhichao huang and kai wu — College of Chemistry and Molecular Engineering, Peking University, Beijing, China

The complexity of the assembly of molecules on the surface makes there is no predictable method of molecular assembly on the surface. When the interaction between the substrate-molecule interaction and the molecular-molecular interaction is weak, the effect of the substrate on the surface assembly structure can be approximately neglected and the molecular-molecular interaction is described using molecular mechanics to achieve the molecular structure Predictive molecular assembly structure. At present, this method has been successfully simulated to obtain trimellitic acid and other organic small molecules of the assembly structure, and experimental observation of the assembly structure consistent.