Registration Number
0218U002321,
0115U003257
, R & D reports
Title
Synthesis and crystal chemistry of new intermetallic compounds with functional properties
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Head
Gladyshevskii Roman Evgenovych,
Registration Date
14-02-2018
Organization
Ivan Franko National University of Lviv
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Object of the investigation: multicomponent systems containing rare-earth (alkaline or alkaline-earth) metals, transition d-metals and p-elements of groups III-V of the periodic system, and the compounds formed in these systems. Subject of the investigation: phase equilibria in multicomponent systems, phase diagrams, conditions of formation of phases, composition and temperature ranges of their existence, optimization of syntheses, crystal structures, electronic structures, chemical bonding, hydrogen sorption, catalytic, electrochemical, electric transport, thermoelectric and magnetic properties, as well as crystal chemical peculiarities of new intermetallic compounds, relations between their composition, structure and properties. Aim of the project: prepare new intermetallic compounds that will become the basis of materials with functional properties. The project includes physical chemical investigation of phase diagrams of multicomponent systems, determination of the crystal structures of the compounds formed in them, and studies of chemical and physical properties of selected compounds. Methods used for the project: arc-melting, synthesis in high-frequency and muffle furnaces (direct interaction of the components, synthesis via ligatures, multistep solid-state synthesis, ampoule synthesis), thermal treatment in muffle and tube furnaces, differential scanning calorimetry, differential thermal analysis, X-ray powder and single-crystal diffraction for phase analysis and crystal structure determination, microstructure analysis, energy dispersive X-ray spectroscopy, electronic structure calculations, tests for perspective catalytic converters, chrono voltamperometry for the characterization of electrode materials, application of the potentiometric two-probe method for electrical resistance and Seebeck coefficient measurements, the Faraday method for magnetic susceptibility studies, and the extraction method for magnetization measurements. X-ray powder diffraction and microstructure analysis were used to construct isothermal sections of the phase diagrams of 88 ternary systems in the whole or part of the concentration range, including 24 quasibinary systems. The crystal structures of 397 intermetallic compounds, 11 other inorganic compounds, 44 coordination complexes and 28 multicomponent solid solutions were determined by X-ray single-crystal and powder diffraction, and the electronic structure and quantitative parameters for the chemical bonding were determined for 28 inorganic compounds. Several new structure types were discovered, and maps of the formation of intermetallics as a function of fundamental parameters were constructed. Crystallographic and crystal chemical parameters were systemized, and algorithms expressing the relationship between composition, structure and property were derived for particular classes of inorganic compounds. Catalytic properties, hydrogen sorption, electrochemical, electric transport, thermoelectric and magnetic properties were studied for relevant compounds. Certain thermoelectric and thermometric materials (solid solutions based on the half-Heusler phases TiNiSn1-xGax, V1-xTixFeSb, and VTi1-xFeхSb, or the skutterudites TixCo4Sb12 and VxCo4Sb12), as well as methods of synthesis of coordination compounds of copper developed within the project, are protected by Ukrainian patents. Within the frame of the project, 19 master degrees, 29 diplomas, 84 undergraduate dissertations (7 2nd year master students, 18 1st year master students, 59 bachelors), 2 doctor and 4 candidate theses were defended; 3 monographs were published by international publishing houses (Walter de Gruyter, Elsevier); 2 monographs were published by Ukrainian publishing houses; 3 textbooks, 184 articles (76 in journals indexed by Scopus and/or Web of Science, and 108 in Ukrainian journals), 217 conference abstracts (28 at conferences taking place abroad and 189 at conferences held in Ukraine) were published; and 8 Ukrainian Patents for Utility Model were obtained. The scientific results were used in the general and advanced courses for bachelors, specialists and master students in the fields of inorganic chemistry and crystal chemistry. Some of the results were used by scientists from the V.I. Vernadsky Institute of General and Inorganic Chemistry of the NAS of Ukraine and the I.M. Frantsevych Institute for Problems in Materials Science of the NAS of Ukraine.
Product Description
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Аксельруд Лев Гершович
Ардан Богдан Романович
Бабіжецький Володимир Станіславович
Белан Богдана Дмитрівна
Гвоздецький Володимир Ярославович
Горинь Андрій Маркіянович
Дзевенко Марія Віталіївна
Дмитрів Григорій Степанович
Жак Ольга Володимирівна
Завалій Ігор Юліанович
Заремба Василь Іванович
Зелінська Оксана Ярославівна
Каличак Ярослав Михайлович
Коник Марія Богданівна
Котур Богдан Ярославович
Левицький Володимир Олексійович
Лук'янов Михайло Юрійович
Маняко Микола Богданович
Мацелко Оксана Василівна
Мельниченко Наталія Олексіївна
Миськів Мар'ян Григорович
Михалічко Віталія Михайлівна
Ощаповський Ігор Валентинович
Павлюк Володимир Васильович
Павлюк Олексій Вікторович
Пукас Світлана Ярославівна
Ромака Віталій Володимирович
Ромака Любов Петрівна
Семусьо Наталія Зеновіївна
Сливка Юрій Іванович
Стадник Юрій Володимирович
Стельмахович Богдан Мирославович
Стеців Юлія Антонівна
Стецьків Андрій Остапович
Тарасюк Іван Іванович
Тиванчук Юрій Богданович
Токайчук Ярослав Олексійович
Шпирка Зіновія Михайлівна
Штендер Віталій Володимирович
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2020-04-02
