Department of Chemistry, University of Illinois at Chicago, Chicago, Illinois 60607, United States.
ACS Nano. 2011 Mar 22;5(3):1798-804. doi: 10.1021/nn102531h. Epub 2011 Feb 22.
We demonstrate by molecular dynamics simulations that carbon nanotubes can activate and guide on their surfaces and in their interiors the self-assembly of planar graphene nanostructures of various sizes and shapes. Nanotubes can induce bending, folding, sliding, and rolling of the nanostructures in vacuum and in the presence of solvent, leading to stable graphene rings, helices, and knots. We investigate the self-assembly conditions and analyze the stability of the formed nanosystems, with numerous possible applications.
我们通过分子动力学模拟证明,碳纳米管可以在其表面和内部激活和引导各种大小和形状的平面石墨烯纳米结构的自组装。纳米管可以在真空和溶剂存在的情况下诱导纳米结构的弯曲、折叠、滑动和滚动,从而形成稳定的石墨烯环、螺旋和结。我们研究了自组装的条件,并分析了形成的纳米系统的稳定性,这些纳米系统具有许多潜在的应用。