In situ study of zinc peroxide decomposition to zinc oxide by X-ray absorption spectroscopy and reverse Monte-Carlo simulations

The Zn K-edge X-ray absorption spectroscopy has been used to investigate in situ the decomposition of zinc peroxide (ZnO${}_2$) to zinc oxide (ZnO). Principal component and linear combination analyses of the EXAFS spectra have been employed to identify the phase composition of the oxide upon heating to 900${}^{\circ }$C. Only the ZnO${}_2$ phase has been found up to 180${}^{\circ }$C, whereas only the nanocrystalline ZnO phase has occurred above 250${}^{\circ }$C. Detailed structural information on the temperature dependence of the local environment of zinc atoms has been obtained using the reverse Monte Carlo simulations. A strong increase of disorder has been found upon approaching the decomposition temperature, evidenced by the broadening of Zn-O and Zn-Zn pair distribution functions and related mean-square relative displacements.