Estudo teórico computacional das propriedades eletrônicas de nanofitas de grafeno de bora armchaur puras e híbridas

Abstract

The present study has to obtain the electronic properties of pure and hybrid armchair-edge graphene nanoribbons. For this, we used the Tight Binding (TB) method through a computational code developed by the research participants. Initially, we will address the study of the chemical element carbon, its properties, and its allotropic forms. Then, a presentation of the principles of quantum mechanics will be made since we are dealing with studies at the atomic level and solid- state physics. Also, in this section, we describe the TB method in more depth, as it is the main tool in our work. Afterward, the main results of the electronic properties of pure and hybrid armchair-edge graphene nanoribbons will be presented and discussed as a function of their width, obtained through a computational code developed in the FORTRAN programming language. Finally, we will discuss the feasibility of the TB method, followed by general conclusions