Local atomic structure evolution in YSZ solid solutions upon Mn doping

Local atomic structure in Mn doped Yttria Stabilized Zirconia was investigated using X-ray absorption spectroscopy at cation K-edges. Both XANES and EXAFS results show that the most significant changes in the local oxygen environment caused by doping appear in the Mn neighborhood. First shell FEFF modeling shows that both vacancies and distortions occur in Mn local environments. Single scattering fits of the EXAFS spectra of all the cations reveal distortions in the first oxygen coordination shells that are most evident for Mn and less pronounced for Zr and Y cations. Mn EXAFS spectra also confirm the presence of Mn3O4 precipitations at high doping.