Zhang, Xi and Zhang, Zhenli and Glotzer, Sharon C. (2007) Simulation study of dipole-induced self-assembly of nanocubes. JOURNAL OF PHYSICAL CHEMISTRY C, 111 (11). pp. 4132-4137.
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Official URL: http://dx.doi.org/10.1021/jp065953j
Recent experiments have demonstrated that nanoparticles with dipoles can self-assemble into interesting one-dimensional and two-dimensional nanostructures. In particular, nanocubes with dipoles are found to form straight nanowires and nanorings with potential applications for nanodevices. In this paper, we use a minimal model to study dipole-induced self-assembly of nanocubes with varying dipole directions, dipole strengths and both with and without face-face attractions arising from dispersive or solvophobic interactions. We reproduce the structures observed in experiments and illustrate that the self-assembled morphologies are dictated by the head-to-tail alignment of the dipoles, the orientation of the dipoles within the cubes, and the face-to-face packing of the nanocubes. Our results show how the self-assembly of dipolar nanocubes differs from that of dipolar spheres in which the only anisotropy is the dipole itself and how system parameters can be manipulated to control the assembled morphologies and the phase behavior. Our simulation model, which uses the plane separating algorithm for efficient detection of nanoparticle overlaps, can be utilized to investigate the self-assembly of other smooth, convex polyhedral-shaped nanoparticles to facilitate novel nanomaterials design.
|Subjects:||Physical Science > Nanophysics|
Physical Science > Nano objects
|Deposited By:||Anuj Seth|
|Deposited On:||09 Jan 2009 12:03|
|Last Modified:||20 Jan 2009 11:14|
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