Efficient statistical approach for thermo-electrical properties of gadolinia-doped ceria thin films.

The thermo-electrical properties of gadolinia-doped ceria (GDC) thin films play a vital role in solid oxide fuel cell (SOFC) applications. Nonetheless, the effects of temperature, dopant concentration, and thickness on thermal expansion, and ionic conduction remain ambiguous. In the present study, we propose an efficient theoretical approach to emphasize the roles of surface layers and surface vicinity (called next-surface layers) on the thermo-electrical properties of GDC thin films. Using statistical moment method, thermal expansion coefficient, and ionic conductivity are calculated as functions of temperature, dopant concentration, and thickness. The lattice strain and ionic disorder in the surface and next-surface layers cause an increase in thermal expansion coefficient and ionic conductivity of thin films. Compared with bulk GDC, the thermal expansion coefficient is slightly larger while the ionic conductivity is more than one to two orders of magnitude enhancement and exhibits the maximum value at the higher concentration. The ionic conductivity depends non-linearly on the dopant concentration and the maximum conductivity is shifted toward a higher value as the temperature increases. The enhancement in thermal expansion coefficient and ionic conductivity offers new opportunities for SOFC electrolytes whose efficiency can be effectively controlled by tailoring the thickness. The theoretical calculations are compared to measured results from experiments. • Thermo-electrical properties of GDC thin films are theoretically investigated. • Importance of lattice strain, ionic disorder in surface (vicinity) are emphasized. • Thermal expansion and ionic conductivity increase due to the thickness reduction. • Thermal expansion coefficient is a decreasing function of dopant concentration. • Maximum conductivity is shifted toward a higher value as temperature increases. [ABSTRACT FROM AUTHOR]