Thermochemistry of Solid-State Formation, Structure, Optical, and Luminescent Properties of Complex Oxides Eu2MeO6 (Me–Mo, W), Eu2W2O9: A Combined Experimental and DFT Study : научное издание

Описание

Тип публикации: статья из журнала

Год издания: 2024

Идентификатор DOI: 10.1002/chem.202402084

Аннотация: <jats:title>Abstract</jats:title><jats:p>Complex oxides Eu<jats:sub>2</jats:sub>MeO<jats:sub>6</jats:sub> (Me–Mo, W), Eu<jats:sub>2</jats:sub>W<jats:sub>2</jats:sub>O<jats:sub>9</jats:sub> were obtained by a solid-phase reaction between binary oxides. The thermodynamic and kinetic mechanisms of the reaction processes were establishПоказать полностьюed using a variety of physical-chemical methods. All compounds obtained in this work crystallize in the low-symmetry monoclinic system, forming complex framework structures, which determine a set of very valuable physical-chemical properties. Comparison of experimental Kubelka-Munk functions and DFT- calculated absorption spectra shows adequate agreement and reveals the origin of the fundamental absorption. In addition, the deficiency in DFT calculations in the part of mutual contribution of CTBs of Mo−O and W−O, from one side, and Eu−O contributions, from the other side, is reported. Calculations of absorption spectra are shown to be superior to band structure analysis in the determination of optical band gaps. Additionally, luminescent properties of Eu<jats:sub>2</jats:sub>MeO<jats:sub>6</jats:sub> and Eu<jats:sub>2</jats:sub>W<jats:sub>2</jats:sub>O<jats:sub>9</jats:sub> compounds were investigated. These studies provide a better understanding of the electronic and optical properties of the compounds Eu<jats:sub>2</jats:sub>MeO<jats:sub>6</jats:sub> and Eu<jats:sub>2</jats:sub>W<jats:sub>2</jats:sub>O<jats:sub>9</jats:sub>, along with their potential applications in various areas.</jats:p>

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Издание

Журнал: Chemistry

Выпуск журнала: Т. 30, 53

Номера страниц: 202402084

ISSN журнала: 09476539

Издатель: Wiley Interscience

Персоны

  • Seredina Yulia V. (School of Natural Sciences University of Tyumen Tyumen 625003 Russia)
  • Oreshonkov Aleksandr S. (School of Engineering and Construction Siberian Federal University Krasnoyarsk 660041 Russia)
  • Molokeev Maxim S. (Laboratory of Theory and Optimization of Chemical and Technological Processes Tyumen State University Tyumen 625003 Russia)
  • Sedykh Alexander E. (Institute of Inorganic and Analytical Chemistry Justus-Liebig-University Giessen Giessen 35392 Germany)
  • Aleksandrovsky Aleksandr S. (Institute of Nanotechnology, Spectroscopy and Quantum Chemistry Siberian Federal University Krasnoyarsk 660041 Russia)
  • Zhernakov Maksim A. (A.M. Butlerov Chemistry Institute Kazan Federal University Kazan 420008 Russia)
  • Khritokhin Nikolay A. (School of Natural Sciences University of Tyumen Tyumen 625003 Russia)
  • Azarapin Nikita O. (School of Natural Sciences University of Tyumen Tyumen 625003 Russia)
  • Glukhova Polina O. (School of Natural Sciences University of Tyumen Tyumen 625003 Russia)
  • Shelpakova Natalia A. (School of Natural Sciences University of Tyumen Tyumen 625003 Russia)
  • Müller-Buschbaum Klaus (Center for Materials Research (LaMa) Justus-Liebig-University Giessen Giessen 35392 Germany)
  • Denisenko Yuriy G. (Department of Construction Materials Industrial University of Tyumen Tyumen 625000 Russia)

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