Registration Number
0224U002049,
(0121U107486)
, R & D reports
Title
Mathematical modeling and experimental studies of the processes of creating low-dimensional solid-state functional materials using intensive laser and ion beams
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Математичне моделювання та експериментальні дослідження процесів створення низьковимірних твердотільних функціональних матеріалів з допомогою інтенсивних лазерних та іонних потоків.
Head
Popovych Dmytro I., д.ф.-м.н.
Registration Date
05-02-2024
Organization
Institute of Applied Problems of Mechanics and Mathematics named after Ya. S. Pidstryhach of the National Academy of Sciences of Ukraine
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The aim of the work is to develop physical and mathematical models for creating complex low-dimensional solid-state structures using laser, ion-beam and photon treatments and to establish physical phenomena and patterns of formation morphology of structure growth, physical, chemical and mechanical properties of the obtained materials.
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The report on research work consists of one part: 86 pages, contains 3 chapters, 53 fig., 7 tabl., 90 references; Research object – mathematical modeling and physico-technological processes in low-dimensional complex solid materials and structures based on them. Research subject – development of physical and mathematical models for the creation of complex low-dimensional solid structures using laser, ion and photon treatments and the establishment of physical phenomena, processes, and regularities of the formation of structure growth morphology, physical, chemical and mechanical properties of the obtained materials. Research methods – density functional theory (DFT), molecular dynamics, pulsed laser reactive technology for obtaining nanopowders of semiconducting metal oxides, molecular beam epitaxy (MBE) of СdHgTe layers, discrete mobility spectrum analysis (DMSA), micro-Raman spectroscopy, secondary ion mass spectroscopy, colloid synthesis, X-ray diffraction, and optical measurement methods. Using molecular dynamics method the processes of adsorption of oxygen atoms on zinc oxide (ZnO) nanoclusters under different initial conditions were simulated. The nature of the influence of the number of oxygen atoms on the radial distribution function and the central symmetry parameters of the studied systems was established. The structural and electronic properties of different types of isomers of nanoclusters (ZnO)n, (n=96, 120) were studied using DFT method, and the effect of doping with atoms of various metals on their properties was established. DMSA method revealed and identified donor defects in ion-implanted arsenic epitaxy layers of СdHgTe grown using MBE. The temperature-time regimes of the cationic exchange CuS→CuIn(Zn)S2 in the colloidal solution were studied and the parameters for achieving the stoichiometric composition of copper-indium sulfide were found. The possibility of complete transition of copper sulfide nanosheets into zinc sulfide nanostrips is shown.
Product Description
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Bovhyra Rostyslav V.
Bonchyk Oleksandr Yu.
Vasjunyk Zorjana I.
Venhryn Yuriy I.
Zhirovetskyi Vasyl M.
Lesyuk Rostyslav I.
Mohylyak Ivan A.
Pavlyuk Vasyl S.
Savytskyi Hryhorii V.
Savka Stepan S.
Serednytski Andrii S.
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2024-02-05
