Zhenli Zhang1, Zhiyong Tang2, Nicholas A. Kotov1, and Sharon C. Glotzer3. (1) Chemical Engineering, University of Michigan, 2300 Hayward Road, 3074 Dow Building, Ann Arbor, MI 48109, (2) National Center for Nanoscience and Technology, Beijing, China, (3) Department of Chemical Engineering, University of Michigan, 2300 Hayward Street, Ann Arbor, MI 48109-2136
Recent experiments have reported the self-assembly of TGA- and DMAET-stabilized CdTe nanoparticles (NPs) into wires and sheets, respectively, depending upon the stabilizer used. We develop a mesoscale model based on quantum mechanical calculations and perform Monte Carlo simulations of these NPs to elucidate the conditions under which these two structures will form. We show that consideration of NP shape, directional attraction, and electrostatic interactions is key to determining the anisotropy of the NP-NP interaction and final self-assembled structures.