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

Autor: Kuzmin, Alexei, Pudza, Inga, Klementiev, Konstantin
Rok vydání: 2022
Předmět:
Zdroj: Physica Status Solidi (b) 259 (2022) 2200001
Druh dokumentu: Working Paper
DOI: 10.1002/pssb.202200001
Popis: 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.
Databáze: arXiv