Department of Chemistry, University of Illinois at Chicago, Chicago, Illinois 60607, USA.
Nano Lett. 2009 Nov;9(11):3766-71. doi: 10.1021/nl9019616.
We demonstrate by molecular dynamics simulations that water nanodroplets can activate and guide the folding of planar graphene nanostructures. Once the nanodroplets are deposited at selected spots on the planar nanostructure, they can act as catalytic elements that initiate conformational changes and help to overcome deformation barriers associated with them. Nanodroplets can induce rapid bending, folding, sliding, rolling, and zipping of the planar nanostructures, which can lead to the assembly of nanoscale sandwiches, capsules, knots, and rings.
我们通过分子动力学模拟证明,水纳米液滴可以激活和引导平面石墨烯纳米结构的折叠。一旦纳米液滴沉积在平面纳米结构的选定位置上,它们就可以作为催化元素,引发构象变化,并帮助克服与之相关的变形障碍。纳米液滴可以诱导平面纳米结构的快速弯曲、折叠、滑动、滚动和拉链,从而导致纳米级三明治、胶囊、结和环的组装。