Estudo teórico computacional das propriedades eletrônicas das nanofitas de grafeno de bordas zigzag puras e híbridas

Abstract

In the present work we obtained the electronic properties of pure and hybrid zigzag edge graphene nanoribbons. For this purpose, the Tight Binding (TB) method was used, which is widely studied and applied by the scientific community in solving problems of a quantum nature, with important applications for nanotechnology. First, we present nanoscience and nanotechnology as areas of study and techniques for manipulating materials at the nanometric scale, respectively. Then, we discuss the physical limitations that silicon-based electronics has been presenting in several technological applications today and we present a possible material based on carbon, which has been widely studied and pointed out by the scientific community as a possible substitute for silicon in electronics. basic. Soon after, we present some structures made up of carbon atoms, called carbon allotropes, where we will give more emphasis to graphene and graphene nanoribbons that are the research objects of this work. Finally, we will demonstrate the electronic properties of pure and hybrid zigzag-edge graphene nanoribbons and the feasibility of the TB method, followed by general conclusions