Microscopic dynamics of the orientation of a hydrated nanoparticle in an electric field.
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.
Daub
Christopher D
CD
Department of Chemistry, Virginia Commonwealth University, Richmond, Virginia 23284, USA.
Bratko
Dusan
D
Ali
Towshif
T
Luzar
Alenka
A
D003198:Computer Simulation; D004560:Electricity; D008853:Microscopy / Q000379:methods*; D008956:Models, Chemical; D053758:Nanoparticles / Q000737:chemistry*; D014867:Water / Q000737:chemistry*
D014867:Water