Self-assembly and structural behavior of a model rigid C60-terminated thiolate on Au(111)

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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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
Depositing User: Danielle Federa
Date Deposited: 15 Jun 2009 20:19
Last Modified: 15 Jun 2009 20:19
URI: http://eprints.internano.org/id/eprint/104

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