Modelling of nonequilibrium chemo-electronic conversion of water adsorption on the surface of yttria-stabilized zirconia: Experimental preparation and problem overview

A. S. Doroshkevich, A. I. Lyubchyk, A. K. Islamov, A. A. Nabiyev, V. A. Turchenko, V. A. Glazunova, T. Yu Zelenyak, V. V. Burkhovetskiy, A. V. Shylo, A. V. Saprykina, O. S. Lygina, S. B. Lyubchyk, T. E. Konstantinova, V. I. Bodnarchuk, S. Ohmura, Kh T. Kholmurodov

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

Abstract

The issues related to the exothermic heterogeneous electrochemical energy conversion to the electric energy through interaction of the ZrO2 based nanopowder system with atmospheric moisture moisture. Electrical properties of the experimental samples were investigated during humidification at the conditions of molecular flux density gradient. The morphological features of the surface cross-section and aggregates of 3 mol% Y2O3 doped ZrO2 nanopowder systems were investigated. Initial conditions for molecular dynamics modelling of the adsorption processes were obtained. The development of chemo-electronic converters based on nanoscale processes and materials with dielectric conductivity type proposed.

Original languageEnglish
Title of host publicationComputer Design for New Drugs and Materials
Subtitle of host publicationMolecular Dynamics of Nanoscale Phenomena
PublisherNova Science Publishers, Inc.
Pages173-188
Number of pages16
ISBN (Electronic) 978-153612101-8
ISBN (Print)978-153612082-0
Publication statusPublished - 1 Jan 2017

Keywords

  • Energy conversion
  • Molecular dynamics simulations
  • Nanopowder system
  • Nonequilibriumchemo-electronic processes
  • Powder nanotechnology

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