Conductive mechanism and influencing factors of zirconia

• 1、Institute for Carbon Neutrality, University of Science and Technology Beijing, Beijing 100083

Abstract：In the development of third-generation fuel cells, zirconia has dominated the solid oxide fuel cell industry over the past few decades as an outstanding electrolyte material because of its high efficiency and environmentally friendly characteristics. However, with the development of computational physics such as first principles and machine learning, the original explanation of conductive mechanism has been relatively backward. In this paper, the physical and chemical properties of zirconia are briefly described, and the latest literatures on the analysis of the electrical conductivity of zirconia from the computational physics perspectives of machine learning and first-principles are reviewed. Combined with experimental verification, the influential factors on the electrical conductivity of zirconia are analyzed from three aspects: oxygen vacancy concentration, diffusion barrier and resistance of impurity phase.

Keywords： inorganic non-metallic materials zirconia electrical conductivity oxygen vacancy diffusion barrier mpurity phase