In Situ Study of Zinc Peroxide Decomposition to Zinc Oxide by X-Ray Absorption Spectroscopy and Reverse Monte Carlo Simulations
(2022) In Physica Status Solidi (B) Basic Research 259(9).- Abstract
The Zn K-edge X-ray absorption spectroscopy is used to investigate in situ the decomposition of zinc peroxide ((Formula presented.)) to zinc oxide (ZnO). Principal component and linear combination analyses of the extended X-ray absorption fine structure (EXAFS) spectra are employed to identify the phase composition of the oxide upon heating to 900 °C. Only the (Formula presented.) phase is found up to 180 °C, whereas only the nanocrystalline ZnO phase is occurring above 250 °C. Detailed structural information on the temperature dependence of the local environment of zinc atoms is obtained using the reverse Monte Carlo (RMC) simulations. A strong increase of disorder is found upon approaching the decomposition temperature, evidenced by... (More)
The Zn K-edge X-ray absorption spectroscopy is used to investigate in situ the decomposition of zinc peroxide ((Formula presented.)) to zinc oxide (ZnO). Principal component and linear combination analyses of the extended X-ray absorption fine structure (EXAFS) spectra are employed to identify the phase composition of the oxide upon heating to 900 °C. Only the (Formula presented.) phase is found up to 180 °C, whereas only the nanocrystalline ZnO phase is occurring above 250 °C. Detailed structural information on the temperature dependence of the local environment of zinc atoms is obtained using the reverse Monte Carlo (RMC) simulations. A strong increase of disorder is found upon approaching the decomposition temperature, evidenced by the broadening of Zn–O and Zn–Zn pair distribution functions (PDFs) and related mean-square relative displacements.
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- author
- Kuzmin, Alexei ; Pudza, Inga and Klementiev, Konstantin LU
- organization
- publishing date
- 2022
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- EXAFS, phase transition, reverse Monte Carlo method, X-ray absorption spectroscopy, ZnO
- in
- Physica Status Solidi (B) Basic Research
- volume
- 259
- issue
- 9
- article number
- 2200001
- publisher
- John Wiley & Sons Inc.
- external identifiers
-
- scopus:85127272964
- ISSN
- 0370-1972
- DOI
- 10.1002/pssb.202200001
- language
- English
- LU publication?
- yes
- id
- 5998c7ce-9844-455f-8579-dd3df04be1cc
- date added to LUP
- 2022-05-04 15:40:08
- date last changed
- 2022-10-31 14:59:38
@article{5998c7ce-9844-455f-8579-dd3df04be1cc,
abstract = {{<p>The Zn K-edge X-ray absorption spectroscopy is used to investigate in situ the decomposition of zinc peroxide ((Formula presented.)) to zinc oxide (ZnO). Principal component and linear combination analyses of the extended X-ray absorption fine structure (EXAFS) spectra are employed to identify the phase composition of the oxide upon heating to 900 °C. Only the (Formula presented.) phase is found up to 180 °C, whereas only the nanocrystalline ZnO phase is occurring above 250 °C. Detailed structural information on the temperature dependence of the local environment of zinc atoms is obtained using the reverse Monte Carlo (RMC) simulations. A strong increase of disorder is found upon approaching the decomposition temperature, evidenced by the broadening of Zn–O and Zn–Zn pair distribution functions (PDFs) and related mean-square relative displacements.</p>}},
author = {{Kuzmin, Alexei and Pudza, Inga and Klementiev, Konstantin}},
issn = {{0370-1972}},
keywords = {{EXAFS; phase transition; reverse Monte Carlo method; X-ray absorption spectroscopy; ZnO}},
language = {{eng}},
number = {{9}},
publisher = {{John Wiley & Sons Inc.}},
series = {{Physica Status Solidi (B) Basic Research}},
title = {{In Situ Study of Zinc Peroxide Decomposition to Zinc Oxide by X-Ray Absorption Spectroscopy and Reverse Monte Carlo Simulations}},
url = {{http://dx.doi.org/10.1002/pssb.202200001}},
doi = {{10.1002/pssb.202200001}},
volume = {{259}},
year = {{2022}},
}