Computer simulation of the electrical properties of carbon nanotubes encapsulated with alkali metal iodide crystals
Комп’ютерне моделювання електричних властивостей вуглецевих нанотрубок, інкапсульованих кристалами йодидів лужних металів
Assel I. Lyudmila M. Vladislavs B. Artūras Ž. Anatoli I.P.
2024B.Verkin Institute for Low Temperature Physics and Engineering of the NAS of Ukraine
Fizika Nizkikh Temperatur
2024#50Issue 10997 - 1004 pp.
The progress of modern electronics largely depends on the discovery and use of new materials with unique properties. One of such promising materials is carbon nanotubes. Their outstanding mechanical, thermal, and electrical properties open up new possibilities for creating small-sized electronic devices and improving the characteristics of existing materials by improving their manufacturing and processing technologies. One of the unique features of carbon nanotubes is their ability to encapsulate other atoms or molecules within their structure. This property can be used to create nanocontainers capable of protecting and transporting active substances or to change the electronic properties of nanotubes depending on the encapsulated substance. In this work, crystals of alkali metal iodides MI were encapsulated in carbon nanotubes with different structures and characteristics. The results obtained in terms of energy and density spectra of the state indicate the characteristics of conductivity due to an increase in energy and high peaks in the Fermi level. Thus, carbon nanotubes represent an important material for future developments in the field of nanoelectronics and nanotechnology.
ab initio calculations , density of states , encapsulated carbon nanotubes , total energy
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K. Zhubanov Aktobe Regional University, Aktobe, 030000, Kazakhstan
Engineering Research Institute, Ventspils University of Applied Sciences, Ventspils, LV-3601, Latvia
Department of Applied Chemistry, Faculty of Chemistry and Geosciences, Vilnius University, Vilnius, 03225, Lithuania
Institute of Solid State Physics, University of Latvia, Riga, LV-1063, Latvia
K. Zhubanov Aktobe Regional University
Engineering Research Institute
Department of Applied Chemistry
Institute of Solid State Physics
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