Periodic lattices of arbitrary nano-objects: modeling and applications for self-assembled systems

Yager, K.G.; Zhang, Y.; Lu, F.; Gang, O.

doi:10.1107/S160057671302832X

Figure 5
Examples of how particle orientation within a unit cell affects the scattering. The black dots are experimental data, whereas the blue curves are model results for (from bottom to top) particles oriented at 0, 22.5 and 45°, and an isotropic average of all possible orientations. (a) A simple cubic arrangement of cubes, simulated using a = 72.5 nm, $[\sigma_{\rm D} = 0.02]$ , $[\sigma_R/R = 0.05]$ and D = 45 nm. The experimental data are for Au nanocubes coated with DNA strands that have a 15 b.p. flexible spacer followed by a 15 b.p. complementary region; the nanocubes are assembled by introduction of a linker strand with a 9 b.p. flexible region flanked by the two 15 b.p. complementary regions which attach to nanoparticles. The closest match to experiment is the 0° orientation, consistent with expectations of face-to-face packing. (b) A body-centered cubic arrangement of octahedra, using a = 86.0 nm, $[\sigma_{\rm D} = 0.03]$ , $[\sigma_R/R = 0.1]$ and D = 45 nm. The experimental data are for Au nano-octahedra with a 15 b.p. flexible spacer followed by a 15 b.p. complementary region; linker strands use a 70 b.p. flexible spacer between the 15 b.p. complementary ends. Here, the experimental data do not exactly match any particular orientation, which implies an intermediate amount of orientational disorder.

JOURNAL OF
APPLIED
CRYSTALLOGRAPHY

ISSN: 1600-5767

Volume 47| Part 1| February 2014| Pages 118-129

doi:10.1107/S160057671302832X

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