期刊
FARADAY DISCUSSIONS
卷 186, 期 -, 页码 215-228出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c5fd00135h
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资金
- Engineering and Physical Sciences Research Council [EP/I001352/1]
- US Department of Energy, Office of Basic Energy Sciences [DE-SC0012704]
- Engineering and Physical Sciences Research Council [EP/I001352/1] Funding Source: researchfish
- EPSRC [EP/I001352/1] Funding Source: UKRI
We report canonical and grand-canonical lattice Monte Carlo simulations of the self-assembly of addressable structures comprising hundreds of distinct component types. The nucleation behaviour, in the form of free-energy barriers to nucleation, changes significantly as the coordination number of the building blocks is changed from 4 to 8 to 12. Unlike tetrahedral structures - which roughly correspond to DNA bricks that have been studied in experiments - the shapes of the free-energy barriers of higher co-ordination structures depend strongly on the supersaturation, and such structures require a very significant driving force for structure growth before nucleation becomes thermally accessible. Although growth at high supersaturation results in more defects during self-assembly, we show that high coordination number structures can still be assembled successfully in computer simulations and that they exhibit self-assembly behaviour analogous to DNA bricks. In particular, the self-assembly remains modular, enabling in principle a wide variety of nanostructures to be assembled, with a greater spatial resolution than is possible in low co-ordination structures.
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