Nonequilibrium chemo-electronic conversion of water on the nanosized YSZ: Experiment and Molecular Dynamics modelling problem formulation

The exothermic heterogeneous electrochemical energy conversion to the electric energy through interaction of the ZrO2 based nanopowder system with atmospheric moisture have been explored within this work. 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. A novel approach for developing of chemo-electronic converters based on nanoscale processes and materials with dielectric conductivity type proposed.