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Laboratory for Chemical Design of New Multifunctional Materials

Contract number
Time span of the project

As of 01.11.2022

Number of staff members
scientific publications
General information

Name of the project: Chemical design of new multifunctional materials

Goals and objectives

Project objective: Comprehensive systematic study of oxide systems based on rare-earth elements;, barium and 3d-transition metals (Mn, Fe, Co, Ni) for determining precise compositions suitable for efficient practical applications in devices for producing fuels (electrolysers, water vapor conversion devices, membranes and others)

The practical value of the study

Scientific results:

  • We have refined a methodology of the synthesis of complex-oxide materials based on alkaline-earth and rare-earth elements and 3d transition metals. The boundaries of the regions of the existence and the structural        characteristics of multi-component solid solutions have been determined. Our researchers have determined the trends of changes, electron transport properties, thermal expansion, oxygen nonstoichiometry of oxide materials with the change of the concentration of dopants, temperature and the partial pressure of oxygen. We assessed the chemical compatibility of the researched oxides with the most widespread solid electrolytes of the working atmosphere. Computations have been performed to determined the equilibrium hydrogen outputs and provided an estimate of the applicability of oxide materials in thermochemical redox cycles. We have measured the current-voltage curves of individual fuel cells based on an oxygen-conducting    electrolyte.
  • Our researchers have collected an extensive array of experimental data on materials that are promising for use in the domain of hydrogen power generation, including data on the thermodynamic stability of complex oxides, phase diagrams of the state of systems, oxygen nonstoichiometry and the structure of defects as well as such significant functional properties as electrical conductivity, thermal expansion, chemical compatibility.
  • We have determined the relation between the chemical composition, the crystal and defect structure, the thermodynamics of disordering and oxygen exchange and the complex of target chemical, electrophysical and thermochemical properties of complex oxides of various structural types.
  • The Laboratory has determined the possibility of practical use of various oxide compounds as efficient reaction-capable materials in thermochemical redox cycles, cathodes of solid oxide oxygen(proton)-conducting fuel cells and anodes of water electrolysers in the mid-temperature range.
Implemented results of research:

The materials produced and characterized in the course of the implementation of the project were used for the creation of an electrochemical generator based on a microturbine solid oxide fuel cell   under a contract with Rosatom State Atomiс Energy Corporation.

Education and career development:

  • We have prepared and launched the master's degree program in English «Chemistry and Physics of new Functional Materials» (the first enrollment for the program will be launched in 2023).
  • The Laboratory has published the textbook «Chemical thermodynamics» (authors: Andrey Yu. Zuev, Dmitriy S. Tsvetkov. Yekaterinburg, Publishing house of the Ural Federal University , 2021, 183 с. ISBN 978-5-7996-3029-4).
  • In 2020-2022 we conducted winter schools in solid-state chemistry and the All-Russian youth scientific conference with international participation «Problems of theoretical and experimental chemistry».
  • One Doctor of Sciences and 4 Candidate of Sciences dissertations have been prepared and defended.

  • CRISMAT Laboratory (France): joint scientific research with the subsequent publication of articles and abstracts of presentations at conferences.
  • Institute of Solid State Chemistry of the Ural Branch of the Russian Academy of Sciences (Russia): joint research and works for the creation of new materials for hydrogen power generation.
  • Rosatom State Atomiс Energy Corporation (Russia): development of a technology for the production of microturbine solid-oxide fuel cells with a proton-conducting electrolyte (implementing an agreement within the priority direction of scientific and technological development «Hydrogen energy»).

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n.e. volkova, k.s. tolstov, l.ya. gavrilova, b. raveau, a. maignan, v.a. cherepanov
Phase equilibria and stability of intermediate phases in the Sm2O3 – BaO – Fe2O3 system. // Journal of the American Ceramic Society, 2021, V. 104, № 5, P. 2410–2417.
n.e. volkova, m.v. bazueva, d.t. aisarinova, a.d. alkhamova, l.ya. gavrilova, v.a. cherepanov, a. maignan
Influence of A- and B-site substitutions on crystal structure and oxygen content in air-prepared Ba1 xPrxFe1-yCoyO3-δ perovskites. // Journal of Alloys and Compounds. 2021, V. 860, P. 158438
l.v. khvostova, n.e. volkova, l.y. gavrilova, a. maignan, v.a. cherepanov
Phase equilibria and oxygen content of intermediate phases in the Sm2O3–SrO–Fe2O3 system. // Journal of the European Ceramic Society. 2021. V. 41. P. 4199-4205.
d.s. tsvetkov, r.e. yagovitin, v.v. sereda, d.a. malyshkin, i.l. ivanov, a.yu. zuev, a. maignan
Defect structure and redox energetics of NdBaCo2O6-δ. // Solid State Ionics. 2021. V.361. P. 115549.
v.v. sereda, d.a. malyshkin, i.l. ivanov, d.s. tsvetkov, a.yu. zuev, a. maignan, redox
Thermochemistry, Thermodynamics, and Solar Energy Conversion and Storage Capability of Some Double Perovskite Cobaltites. // Inorganic Chemistry. 2021.
i.b. golovachev, m.yu. mychinko, n.e. volkova, l.ya. gavrilova, b. raveau, a. maignan, v.a. cherepanov
Effect of cobalt content on the properties of quintuple perovskites Sm2Ba3Fe5-xCoxO15-δ. // Journal of Solid State Chemistry. 2021. V. 301. P. 122324.
a.r. gilev, e.a. kiselev, d.s. chezganov, a.s. volegov, e.r. khuzyagulov, v.a. cherepanov, a. maignan
Enhancement of oxygen permeation flux through the La1.5Sr0.5Ni1-yMnyO4+δ ceramic membranes by manganese doping. // Journal of the European Ceramic Society. 2021. V. 41. P. 369-379.
a.l. sednev-lugovets, v.v. sereda, d.a. malyshkin, d.s. tsvetkov, i.l. ivanov, a.yu. zuev, a. maignan
Defect chemistry and high-temperature thermodynamics of PrBaCo2O6-δ. // Journal of Chemical Thermodynamics. 2021. V. 161. P. 106523
t.v. aksenova, n.e. volkova, a. maignan, v.a. cherepanov
Phase equilibria in the Nd2O3–BaO–Fe2O3 system. Crystal structure, oxygen content and properties of intermediate oxides. // Journal of the American Ceramic Society. 2022. V. 105. P. 3601–3612.
a.r. gilev, e.a. kiselev, k.s. sukhanov, d.v. korona, v.a. cherepanov
Evaluation of La2-x(Ca/Sr)xNi1-yFeyO4+δ (x=0.5, 0.6; y=0.4, 0.5) as cathodes for proton-conducting SOFC based on lanthanum tungstate. // Electrochimica Acta. 2022. V. 421. P. 140479.
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