A combined Monte Carlo and Hückel theory simulation of orientational ordering in C60 assemblies
Orientational ordering of C60 molecules within monolayer and multilayer islands is a regularly observed phenomenon in scanning tunnelling microscopy (STM) studies. Here we simulate the orientational ordering seen in STM images via a novel combination of Monte Carlo and Hückel theory methods and comp...
| Main Authors: | , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2016
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| Online Access: | http://eprints.nottingham.ac.uk/33039/ http://eprints.nottingham.ac.uk/33039/ http://eprints.nottingham.ac.uk/33039/ http://eprints.nottingham.ac.uk/33039/1/MC_Paper_accepted.pdf |