Carbon Nanotube Initiated Formation of Carbon Nanoscrolls

关于一种新近合成的可转化为纳米管/纳米卷的无定形碳单层膜力学性能的反应分子动力学研究

A Reactive Molecular Dynamics Study on the Mechanical Properties of a Recently Synthesized Amorphous Carbon Monolayer Converted into a Nanotube/Nanoscroll

本研究通过反应分子动力学模拟，对比了本征与无定形碳纳米管、纳米卷的力学性能和热稳定性，揭示了结构无序对其力学行为和拓扑作用的影响规律。

Arrays of carbon nanoscrolls as deep-subwavelength magnetic metamaterials

We demonstrate theoretically that an array of carbon nanoscrolls acts as a hyperbolic magnetic metamaterial in the THz regime with genuine subwavelength operation corresponding to wavelength-to-structure ratio of about 200. Due to the low sheet resistance of graphene, the electromagnetic losses in an array of carbon nanoscrolls are almost negligible offering a very sharp magnetic resonance of extreme positive and negative values of the effective magnetic permeability. The latter property leads to superior imaging properties for arrays of carbon nanoscrolls which can operate as magnetic endosco…

石墨烯和石墨烷纳米卷的动态形成

Dynamical Formation of Graphene and Graphane Nanoscrolls

本研究通过分子动力学模拟探究氢化与温度对碳纳米带自卷曲形成碳纳米卷的影响，对比三种含石墨烯、石墨烷与碳纳米管的构型，明确了不同构型下纳米卷形成的温度范围差异。

Prediction of Giant Electro-actuation for Carbon Nanoscrolls

We study by first-principles calculations the electro-mechanical response of carbon nanoscrolls. We show that although they present a very similar behavior to carbon nanotubes for what concerns the axial deformation sensitivity, they exhibit a radial response upon charge injection which is up to one order of magnitude larger. In association with their high stability, this behavior make them a natural choice for a new class of very efficient nano-actuators.

Ultrafast nano-oscillators based on interlayer-bridged carbon nanoscrolls

We demonstrate a viable approach to fabricating ultrafast axial nano-oscillators based on carbon nanoscrolls (CNSs) using molecular dynamics simulations. Initiated by a single-walled carbon nanotube (CNT), a monolayer graphene can continuously scroll into a CNS with the CNT housed inside. The CNT inside the CNS can oscillate along axial direction at a natural frequency of 10s gigahertz (GHz). We demonstrate an effective strategy to reduce the dissipation of the CNS-based nano-oscillator by covalently bridging the carbon layers in the CNS. We further demonstrate that, such a CNS-based nano-osci…

Curved Graphene Nanoribbons: Structure and Dynamics of Carbon Nanobelts

Carbon nanoribbons (CNRs) are graphene (planar) structures with large aspect ratio. Carbon nanobelts (CNBs) are small graphene nanoribbons rolled up into spiral-like structures, i. e., carbon nanoscrolls (CNSs) with large aspect ratio. In this work we investigated the energetics and dynamical aspects of CNBs formed from rolling up CNRs. We have carried out molecular dynamics simulations using reactive empirical bond-order potentials. Our results show that similarly to CNSs, CNBs formation is dominated by two major energy contribution, the increase in the elastic energy due to the bending of th…