Peroxide as a mechanism to accommodate excess oxygen - (PPT)

摘要

The dominant defect in group II monoxides is the peroxide ion. Decomposition of BaO_2 to go to BaO with temperature agrees well with experiment. Excess oxygen is accommodated by peroxide ions in CeO_2 and ThO_2 but not UO_2. Transport is limited by bond breaking with O_i intermediary. Excess oxygen predicted to be accommodated in BaZrO_3 and SrZrO_3 by peroxide ions, for lower Fermi level values. Activation energies again ～0.8 eV, similar to V_o mediated. Raman on treated and un-treated zirconate powders predict formation of BaZrO_(3+x) and SrZrO_(3+x). Further work: peroxide in Al_2O_3.