title: Atomistic simulations of electrowetting in carbon nanotubes.
abstract: Electrowetting of carbon nanotubes by mercury was studied using classical molecular dynamics simulations in conjunction with a macroscopic electrocapillarity model. A scaled ab initio mercury dimer potential, optimized to reproduce the mercury liquid density (at 300 K), melting point, and wetting angle on graphite, was selected for the simulations. Wetting of (20,20) single-walled carbon nanotubes by mercury occurs above a threshold voltage of 2.5 V applied across the interface. Both the electrocapillary pressure and imbibition velocity increase quadratically with voltage and can acquire large values, for example, 2.4 kbar and 28 m/s at 4 V, indicating a notable driving force. The observed voltage scaling can be captured by the Lucas-Washburn equation modified to include a wetting-line friction term.
authors.affiliation: Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA.
authors.forename: A
authors.initials: A
authors.lastname: Kutana
authors.forename: K P
authors.initials: KP
authors.lastname: Giapis
mesh_terms: D002197:Capillary Action / Q000528:radiation effects; D003198:Computer Simulation; D004058:Diffusion / Q000528:radiation effects; D004563:Electrochemistry / Q000379:methods*; D004574:Electromagnetic Fields; D008422:Materials Testing / Q000379:methods; D008628:Mercury / Q000737:chemistry* / Q000528:radiation effects; D008956:Models, Chemical; D037742:Nanotubes, Carbon / Q000737:chemistry* / Q000528:radiation effects; D016062:Porosity / Q000528:radiation effects; D017155:Wettability
chemical_list: D037742:Nanotubes, Carbon; D008628:Mercury