Revista Egitania Sciencia - Volume 9 | ARTICLE


Author: Jorge Fonseca e Trindade (

Publication: Revista Egitania Sciencia - Volume 9

Carbon is one of the most abundant elements in nature and even until 20 years ago only two free allotropic forms were known: graphite and diamond. The discovery of a third form, fullerene, has triggered renewed interest in the study and applications of carbon, leading to the synthesis of new allotropic forms of carbon known as nanotubes. Shortly thereafter, we entered the era of Nano science. The great challenge of Nano science is that, at Nano-scale, materials present different properties and behavior from what happens at the macro scale, as a result of thermal and quantum effects becoming very important and the component surface becoming more relevant than its volume. Thus, it becomes necessary to carry out studies on the behavior of carbon nanotubes in this context. This work will review some important properties of carbon nanotubes as well as some factors which they depend on and will illustrate the doping of carbon nanotubes with silicon and the carboxylic group by computer simulation.

Keywords: Carbon, carbon nanotubes, functionalization, computational simulation, ab initio

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