Propriedades eletrônicas do grafeno e de nanofitas de grafeno

Abstract

This study is a methodological review work that investigated the electronic properties of one-dimensional and two-dimensional materials, primarily focusing on graphene. Initially, simplified one-dimensional models were explored using two distinct numerical methods: the Matrix Method and the Shooting Method, from which band structures for different periodic systems were derived. Additionally, employing the Tight-Binding Model and resorting to computational simulations through the Pybinding package, the band structure of two-dimensional graphene systems and effectively one-dimensional graphene systems was investigated, exploring their electronic properties, including the density of states (DoS). Particular attention was directed towards the analysis of specific networks, ranging from 2-AGNR to 10-AGNR, essential for material modeling and practical applications. The results show that the graphene network and the 2-AGNR and 8-AGNR nanoribbons exhibit conductive behavior, while the 4-AGNR, 6-AGNR, and 10-AGNR nanoribbons exhibit semiconductor behavior, indicating that the width of the nanoribbons alters their electronic properties.