期刊
NANO LETTERS
卷 10, 期 5, 页码 1907-1911出版社
AMER CHEMICAL SOC
DOI: 10.1021/nl100783g
关键词
Nanobowls; crystal structures; computer simulations; phase diagram; columnar liquid crystals
类别
资金
- Utrecht University
- NWO-VICI
We study the phase behavior of bowl-shaped (nano)particles using confocal microscopy and computer simulations. Experimentally, we find the formation of a wormlike fluid phase in which the bowl-shaped particles have a strong tendency to stack on top of each other. However, using free energy calculations in computer simulations, we show that the wormlike phase is out-of-equilibrium and that the columnar phase is thermodynamically stable For sufficiently deep bowls and high densities. In addition, we employ a novel technique based on simulated annealing to predict the crystal structures for shallow bowls. We find four exotic new crystal structures and we determine their region of stability using free energy calculations. We discuss the implications of our results for the development of materials consisting of molecular mesogens or nanoparticles.
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