Fig. 6: Availability of surface oxygen species on pure ZrO2 catalyst.

a HRTEM image. b Fast Fourier transformed (FFT) image from Fig. 6a. c Inverse FFT images from Fig. 6b. d Gibbs free energy profiles as well as the optimized structures of intermediates and transition states obtained for the reaction of lattice oxygen with hydrogen on ZrO2(-111) and ZrO2(011) at 973 K and ambient pressure. Color scheme: Zr – light blue, O – red, C – grey, H – white.