科研之友
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摘要
Organic thin-films are recently used in various functional devices. In this short report, molecular dynamics simulations are performed to study crystallization and thin-film formation in n-alkane C(19)H(40) on solid substrates of various types. Irrespective of detailed geometrical structures of the substrate, the chains generally tend to lie parallel to the substrate if the substrate is highly attractive, while they align perpendicular to the substrate of weak attraction. If the substrate has a medium level of attraction, detailed atomic-level structure of the substrate is found to play important roles in determining chain orientations within the thin films.
- 出版日期2010
