Исследование взаимодействия углеродных наноструктур с атомом серебра

In this work, a theoretical study of the possibility of using carbon nanotubes as elements of sensor devices that exhibit sensitivity towards silver molecules was considered. A zig-zag (6.0) type carbon nanotube acted as a nanotube. This system will allow for the acceleration of solutions to problems of the applied use of nanosystems, such as high-performance sensors of the new generation on the basis of nanotubes, establishing the presence of poisonous substances, etc. Computer modelling showed distinctive interaction parameters obtained by the DFT method. It is concluded that carbon nanotubes almost always form stable chemical complexes with Ag. The obtained nanosystem exhibits sorption and sensory activity towards silver. Modification of carbon nanotubes by attaching silver atoms to their surface allows for control of their electronic properties, in particular the width of the forbidden zone. Taking into account the dependence between the forbidden zone width and the refractive index, it becomes possible to use these 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.