Study Of The Transport Properties Of Edge States Of The Zigzag Type Graphene Nanoribbons

This thesis is mainly about zigzag type graphene nanoribbon, focused on the its electronic structure and transport properties. Three parts, introduction, fundamental principle and methods, and details of our calculation are included in the paper. First, in the introduction part, a brief review of graphene, including its novel properties and its production methods, is made. Graphene can be viewed as mother of graphene nanorib-bon, which can be patterned from graphene. After that, we reviewed graphene nanorib-bon's electronic structure. According to its edge, graphene nanoribbon can be classified into two types:zigzag (ZGNR) and armchair(AGNR). They behave quite different elec-tronic properties which will be included in this section. Second parts are mainly about the fundamental principles and method used in our study. Density functional theory are most popular used in the ab intio calculation, and can be used to calculate ground state electronic structure of many different systems. As for the transport problem, non-equilibrium Green Function method are very accurate. Quantum calculation software ATK 2008.10, which combines this two methods, can be used to study many different systems, including molecules, crystal and two-probe systems. Parameters are opti-mized ahead using 7 dimer width zigzag graphene nanoribbon, all the formula physical results, including density if states, Local density of states, are given in this parts. Most of our calculations are listed in the last part. We give out our calculation models, and show how hydrogenation enhances transport properties of zigzag graphene nanorib-bon. Especially, when even number dimer width ZGNR is hydrogenated, conduction are greatly improved. Our calculation tells control of transport property of ZGNR can be archived by selective hydrogenation.