论文标题
石墨烯和石墨烯纳米滚动的动力形成
Dynamical Formation of Graphene and Graphane Nanoscrolls
论文作者
论文摘要
碳纳米滚子（CNSS）是纳米材料，其几何形状类似于石墨烯层卷成螺旋形（纸莎草状）形式。通过分子动力学模拟研究了三种构型的氢化和温度对两个与碳纳米管（CNT）相互作用的两种纳米管的自我滚动过程的影响：（1）石墨烯/石墨烯/CNT； （2）石墨烯/石墨烷/CNT和（3）石墨烷/墨烷/CNT。石墨烷是指完全氢化的石墨烯纳米苯。对于温度为300-1000 K的构型（1）和（2），观察到纳米滚动的形成，而纳米骨架包裹CNT没有纳米滚动形成以进行构型（3）。
Carbon nanoscrolls (CNSs) are nanomaterials with geometry resembling graphene layers rolled up into a spiral (papyrus-like) form. Effects of hydrogenation and temperature on the self-scrolling process of two nanoribbons interacting with a carbon nanotube (CNT) have been studied by molecular dynamics simulations for three configurations: (1) graphene/graphene/CNT; (2) graphene/graphane/CNT, and (3) graphane/graphane/CNT. Graphane refers to a fully hydrogenated graphene nanoribbon. Nanoscroll formation is observed for configurations (1) and (2) for temperatures 300-1000 K, while nanoribbons wrap CNT without nanoscroll formation for configuration (3).
