期刊
CHEMICAL PHYSICS LETTERS
卷 470, 期 4-6, 页码 289-294出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2009.01.071
关键词
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资金
- National Science Foundation (NSF) [0425826]
- Div Of Engineering Education and Centers
- Directorate For Engineering [0425826, 832785] Funding Source: National Science Foundation
We have constructed a potential energy function to model the self-assembly of rigid C-60-terminated thiolates on Au(1 1 1). This potential was used to carry out Monte Carlo simulations over a range of temperatures and surface coverage. We find the intermolecular attraction between the C-60 moieties leads to facile self-assembly. At low coverage, the molecules bind in a lying down phase; at higher coverage both lying down and standing up molecules coexist. The strong interaction between C-60 and the metal hinders the formation of highly ordered domains. (C) 2009 Elsevier B. V. All rights reserved.
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