Numerical microstructural optimization for the hydrogen electrode of solid oxide cells

Abstract

A multiscale model has been used to optimize the microstructure of a classical hydrogen electrode made of nickel and yttria‐stabilized zirconia (Ni‐8YSZ). For this purpose, a 3D reconstruction of a reference electrode has been obtained by X‐ray nano‐holotomography. Then, a large dataset of synthetic microstructures has been generated around this reference with the truncated Gaussian random field method, varying the ratio Ni/8YSZ and the Ni particle size. All the synthetic microstructures have been introduced in a multiscale modeling approach to analyze the impact of the microstructure on the electrode and cell responses. The local electrode polarization resistance in the hydrogen electrode, as well as the complete cell impedance spectra, have been computed for the different microstructures. A significant performance improvement was found when decreasing the Ni particle size distribution. Moreover, an optimum has been identified in terms of electrode composition allowing the minimization of the cell polarization resistance. The same methodology has been also applied to assess the relevance of graded electrodes. All these results allow a better understanding of the precise role of microstructure on cell performances and provide useful guidance for cell manufacturing.