The Self-Assembly of Nano-Objects code (SANO-Grid) using grid interpolation technique: Application to epitaxial organic monolayers adsorbed on metal surfaces

T. Roussel, L. F. Vega

Research output: Chapter in Book/Report/Conference proceedingConference contributionpeer-review

1 Scopus citations

Abstract

The self-assembly of nano-objects onto surfaces is one step toward bottom-up technique for the miniaturization of electronic devices with tunable physical properties. Finding the optimal conditions to position precisely the molecular building blocks on surfaces remains very challenging. Statistical mechanics and numerical approaches on large scales are essential to understand and eventually predict their equilibrium nanostructures, their thermodynamic properties, nucleation and growth mechanisms, which occur at sub-micrometric scalings. Atomistic simulations of thousands of these large flat organic molecules require computational efforts that become rapidly unaffordable. However, assuming the intramolecular degrees of freedom play a minor role on the resulting nanostructures, and taking advantage of grid interpolation techniques, we overcome this challenging issue and have implemented a Grand Canonical Monte-Carlo code, transferable to many transition metal surfaces and organic molecules.

Original languageBritish English
Title of host publicationNanotechnology 2011
Subtitle of host publicationElectronics, Devices, Fabrication, MEMS, Fluidics and Computational
Pages579-582
Number of pages4
StatePublished - 2011
EventNanotechnology 2011: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational - 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011 - Boston, MA, United States
Duration: 13 Jun 201116 Jun 2011

Publication series

NameTechnical Proceedings of the 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011
Volume2

Conference

ConferenceNanotechnology 2011: Electronics, Devices, Fabrication, MEMS, Fluidics and Computational - 2011 NSTI Nanotechnology Conference and Expo, NSTI-Nanotech 2011
Country/TerritoryUnited States
CityBoston, MA
Period13/06/1116/06/11

Keywords

  • Adsorption
  • Metal surface
  • Monte carlo
  • Ombe
  • Phthlocyanines
  • Self-assembly

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