Estudo teórico-experimental da interação de óxido de grafeno e grupos contendo fósforo

Abstract

Currently, the synthesis of graphene oxide is widelydiscussed and studied in the literature due to its properties and several applications in scientific fields. Among these applications, the functionalization of graphene oxide has had high repercussions in recent years. In this context, both the formulation of new functionalization routes and the experimental study of these reactions have been carried out. In microelectronics, the functionalization of graphene oxide with groups containing elements such as phosphorus, nitrogen, sulfur and halogens, for example, for subsequent reduction and production of modified reduced graphene oxide, represents an interesting model, due to the positive results of these new materials. However, the theoretical study of these reactions and of the chemical bonding configurations of these materials still lacks development. Therefore, the purpose of this work is to study the functionalization/doping of graphene oxide with phosphorus, through the synthesis and characterization of functionalized oxides, as well as the implementationof computational simulations, aiming to improve the understanding about the structural and chemical details of these materials