title: Microscopic dynamics of the orientation of a hydrated nanoparticle in an electric field.
abstract: We use atomistic simulations to study the orientational dynamics of a nonpolar nanoparticle suspended in water and subject to an electric field. Because of the molecular-level effects we describe, the torque exerted on the nanoparticle exceeds continuum-electrostatics-based estimates by about a factor of 2. The reorientation time of a 16.2 x 16.2 x 3.35 A(3) nanoparticle in a field |E| > 0.015 V/A is an order of magnitude less than the field-free orientational time (approximately 1 ns). Surprisingly, the alignment speed is nearly independent of the nanoparticle size in this regime. These findings are relevant for design of novel nanostructures and sensors and development of nanoengineering methods.
authors.affiliation: Department of Chemistry, Virginia Commonwealth University, Richmond, Virginia 23284, USA.
authors.forename: Christopher D
authors.initials: CD
authors.lastname: Daub
authors.forename: Dusan
authors.initials: D
authors.lastname: Bratko
authors.forename: Towshif
authors.initials: T
authors.lastname: Ali
authors.forename: Alenka
authors.initials: A
authors.lastname: Luzar
mesh_terms: D003198:Computer Simulation; D004560:Electricity; D008853:Microscopy / Q000379:methods*; D008956:Models, Chemical; D053758:Nanoparticles / Q000737:chemistry*; D014867:Water / Q000737:chemistry*
chemical_list: D014867:Water