Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5348695 | Applied Surface Science | 2015 | 6 Pages |
Abstract
The first-principle technique has been employed to determine the structure of hexyl thiolate molecular chains, monolayers and the adsorption system. CASTEP calculation shows that hexyl thiolate monolayer is a self-assembly system. And the molecular orientation of the hexyl thiolate on the surface is not symmetrical, they have the simplex structure. The electron density confirms the result. Hexyl thiolate monolayer is adsorbed on the Au(1 1 1)-(â3 Ã â3)R30° surface in the bridge site with the angle between the SC6 bond and the surface is 65°. The structural parameters in the adsorption system are the same to those in the monolayer.
Related Topics
Physical Sciences and Engineering
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Physical and Theoretical Chemistry
Authors
Taiquan Wu, Dan Cao, Xinyan Wang, Zhiwei Jiao, Miaogen Chen, Honglei Luo, Ping Zhu,