Work number - M 32 AWARDED
Presented Pidstryhach Institute for Applied Problems of Mechanics and Mathematics NAS of Ukraine.
PhD Bovhyra R.V., PhD Savka S.S., PhD Venhryn Yu.I.
The presented series of works is dedicated to the study of structural, electronic, luminescent and gas-sensing characteristics of nanostructures based on low-dimensional semiconductor metal oxides.
Using the density functional theory the structural and electronic properties of ZnO nanostructures (nanoclusters, nanotubes), both ideal and intrinsic defect structures, as well as doped with 3d atoms of transition metals, were established and the energy parameters of their interactions with the gas molecules were found.
The molecular dynamics method was used to reveal the patterns of formation of ZnO nanoclusters in a chemically active medium from laser plasma, establish physico-technological patterns of oxidation of Zn nanoclusters in an oxygen medium and the formation of the "core-shell" nanostructures, learn the influence of initial conditions on changes in the thickness and density of the oxide layer of Zn-ZnO “core-shell” structures.
The nature of the impact of the gas environment on the photoluminescent properties of nanopowder materials has been established, which allowed to predict the creation of functionally important elements for the new generation gas sensor system and to build a working laboratory model of such a system.
Number of publications: 21 papers (20 – in English-language publications with an impact factor), 33 conference materials and abstracts. Total number of citations to publications of authors/ h-index of work, according to databases is respectively: Web of Science – 112/6, Scopus 128/7, Google Scholar –147/7. The Patent of Ukraine for a utility model was obtained.