Biosensors based on one-dimensional modified carbon nanostructures

This paper presents the results of a theoretical study of the properties of two types of carbon nanotubes using the quantum-chemical DFT method within the framework of the molecular cluster model. The process of external adsorption of iron and nickel oxides on the surface of nanotubes was investigated. For the efficiency of using carbon nanotubes containing substituting boron atoms as biosensors, their interaction with acetone molecules was studied. The main energetic characteristics of these processes, such as distance and adsorption energy, were determined. A modelling experiment was carried out on the addition of iron and nickel oxides and the interaction of boron-carbon nanotube-based biosensors with acetone molecules. It was found that by modifying carbon nanotubes by attaching metal oxides and functional groups and substituting boron atoms to their surface, it is possible to control their electronic properties, in particular the width of the forbidden zone. Taking into account the dependence between the forbidden band width and refractive index, it becomes possible to use the considered complexes for optical applications. Such complexes are also promising for use as biosensors, allowing them to detect the presence of microquantities of various substances in the environment on the basis of these regularities, which ultimately makes them extremely useful for environmental and medical research.