Electric field-controlled semiconductor nanorod assembly in solution: mechanistic insights from non-equilibrium molecular dynamics.

Non-equilibrium molecular dynamics (MD) of small, charged cadmium selenide nanorods have been carried out in the absence and presence of static applied electric fields. In the absence of applied fields, it was found that opposite dipolar alignment (antiferromagnetic) was achieved, along with self-assembly of the nanorods. However, in the case of induced electrophoresis in applied fields, the rods approached each other less readily, while at and above a field intensity of 0.05 V/Å, preferential alignment with the field was achieved for all rods, in contrast to the zero-field case. These results have implications for electric field-mediated control of nanorod assembly in solution, of key importance in a wide range of areas from photovoltaics to energy storage. [ABSTRACT FROM AUTHOR]