BUBNIS, G and Cleary, SM and Mayne, HR. (2009) Self-assembly and structural behavior of a model rigid C60-terminated thiolate on Au(111). Chemical Physics Letters, 470 (4-6). p. 289. ISSN 00092614
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Official URL: http://dx.doi.org/10.1016/j.cplett.2009.01.071
Abstract
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
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | SIMPLE GENERALIZED MODELS; METAL-SURFACES; MOLECULAR ELECTRONICS; MONTE-CARLO; MONOLAYERS; C-60; FULLERENE; SIMULATION; GOLD; DIFFUSION |
| InterNano Taxonomy: | Nanomanufacturing Processes > Assembly Techniques |
| Collections: | Nanomanufacturing Research Collection |
| ID Code: | 104 |
| Deposited By: | Danielle Federa |
| Deposited On: | 15 Jun 2009 16:19 |
| Last Modified: | 15 Jun 2009 16:19 |
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