1. Wetting-to-Nonwetting Transition in Metal-CoatedC60
- Author
-
C. Mijoule, Fernand Spiegelman, J. Roques, and Florent Calvo
- Subjects
Materials science ,010304 chemical physics ,Sodium ,Ab initio ,General Physics and Astronomy ,chemistry.chemical_element ,02 engineering and technology ,021001 nanoscience & nanotechnology ,01 natural sciences ,Fullerene molecule ,Molecular physics ,Metal ,chemistry ,Homogeneous ,visual_art ,Electric field ,Ionization ,0103 physical sciences ,Physics::Atomic and Molecular Clusters ,visual_art.visual_art_medium ,Physics::Atomic Physics ,Wetting ,Atomic physics ,0210 nano-technology - Abstract
Based on ab initio and density-functional theory calculations, an empirical potential is proposed to model the interaction between a fullerene molecule and many sodium atoms. This model predicts homogeneous coverage of ${\mathrm{C}}_{60}$ below eight Na atoms and a progressive droplet formation above this size. The effects of ionization, temperature, and external electric field indicate that the various, and apparently contradictory, experimental results can indeed be put into agreement.
- Published
- 2003