Comparative Study Of Physical Properties Between Graphene And Carbon Nanotubes

Because of the valence state specificity, there are many allotropes of the carbon. Besides traditional carbon materials like graphite, diamond and so on, scientists have discovered new-types of carbon nano-materials in succession in recent years. The discovery of the carbon nano-materials provided a reliable alternative to solve the issue of the next generation of materials. The carbon nano-materials represented by carbon nanotubes(CNTS) and graphene have made contributions to the national economy on particular occasion. Scientists have mad many researches of these carbon nano-materials on many aspects. During these aspects, studying the link of these carbon nano-materials is very important.There has been a consensus that the structure of graphene is the foundation of many low-dimensional carbon nano-materials' structures. Based on this perspective, we chose CNTS, whose structure based on graphene, as a reference object in this paper.We used analog calculation to research the changing of physical properties between the graphene nanoribbons (GNR) and the related CNTS. The main content of the paper is as follows:In chapter I we illuminated the significance of establishing the subject of this paper, and introduced the preparation method and the research status of graphene and CNTS in recent years. At the same time, we made a certain generalization about the mechanical, optical and electrical properties of the graphene and CNTS.In chapter II we described the theoretical basis for this paper. What's more, we described the process of DFT self-consist, and the measure of calculating transmission properties. At last, the calculating software was introduced, such as Gaussian, MS and VNL(ATK).In chapter III we established the models of GNR and CNTS, explained the mechanism of GNR curling into CNTS and showed their macro and micro diagram. Meanwhile, we built an open two-terminal transmission structure by using flawless graphene and CNTS.In chapter IV we analog calculated the electronic structure of GNR and CNTS on basis of Chapter II and Chapter III. We compared bandgap and frontier orbital between GNR and CNTS, and summarizes the similarities and differences between them.In chapter V we studied the relationship of transmission properties of GNR and CNTS. Moreover, we sum up the differences between GNR and CNTS and analyzed the reasons of these differences briefly.In chapter VI we made a conclusion of this paper and provided the relationship of physical properties between GNR and related CNTS. Simultaneity, because of the length limitations of the paper, we did not refer to some aspects such as transmission eigenstate in chapter V. At last, we put forward outlook of future research.We presented the core content and main work of this paper during chapter III to chapter V. These three chapters are also provided the innovation of this paper by establishing related models and analog calculating to study the changing of physical properties, including bandgap, frontier orbital, transmission property and so on, which has guiding significance for future contact physical properties research of carbon nano-materials.