A comprehensive study of structure and properties of nanocrystalline zinc peroxide

Bocharov, Dmitry; Chesnokov, Andrei; Chikvaidze, G.; Gabrusenoks, J.; Ignatāns, Reinis; Kalendarev, R.; Krack, Matthias; Kundziņš, K.; Kuzmin, Alexei; Миронова-Улмане, Н.; Pudza, Inga; Puust, Laurits; Силдос, И.; Vasil’chenko, E.; Zubkins, Mārtiņš; Purans, Juris

doi:10.1016/j.jpcs.2021.110318

Cited by 8 publications

(11 citation statements)

References 84 publications

(154 reference statements)

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“…To perform RMC simulations, an initial model of the oxide structure (a simulation box) was constructed as a supercell with a size of 4a×4a×4a for ZnO 2 or 4a×4a×2c for ZnO based on the crystallographic parameters of the unit cell obtained by X-ray (a=4.896 Å for ZnO 2 [29]) or neutron (a=3.250 Å and c=5.204 Å for ZnO [42]) diffraction. Periodic boundary conditions were employed to avoid problems with boundary effects.…”

Section: Discussionmentioning

confidence: 99%

“…Nanocrystalline ZnO 2 with the crystallite size of about 22 nm from [29] and commercial polycrystalline wurtzite-type ZnO (99.99% purity, Alfa Aesar) were used in the powder form. For high-temperature experiments, each zinc oxide powder was mixed with BN powder and pressed into a pellet.…”

Section: Methodsmentioning

confidence: 99%

“…Zinc oxide exists at ambient conditions in two phases -wurtzite-type ZnO [26,27] and peroxide ZnO 2 [28,29]. In both structures, oxygen atoms compose the first coordination shell of zinc.…”

Section: Introductionmentioning

confidence: 99%

“…The use of ZnO 2 as a precursor for the production of ZnO nanoparticles and thin films has been demonstrated in several studies [30,32,33,34,35,36]. Among many applications [29], such nanoparticles may be of interest in printed optoelectronics as part of zinc oxide inkjet inks [37,38,39].…”

Section: Introductionmentioning

confidence: 99%

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

Kuzmin,

Pudza,

Klementiev

2022

Preprint

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The Zn K-edge X-ray absorption spectroscopy has been used to investigate in situ the decomposition of zinc peroxide (ZnO2) 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 • C. Only the ZnO2 phase has been found up to 180 • C, whereas only the nanocrystalline ZnO phase has occurred above 250 • 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.

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Section: Discussionmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

“…Zinc oxide exists at ambient conditions in two phases -wurtzite-type ZnO [26,27] and peroxide ZnO 2 [28,29]. In both structures, oxygen atoms compose the first coordination shell of zinc.…”

Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 2 more Smart Citations

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

Kuzmin,

Pudza,

Klementiev

2022

Preprint

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show abstract

“…Zinc oxide exists at ambient conditions in two phases––wurtzite‐type ZnO [ 26,27 ] and peroxide

{ZnO}_{2}

. [ 28,29 ] In both structures, oxygen atoms compose the first coordination shell of zinc. However, the coordination of zinc atoms is tetrahedral in ZnO, while it is octahedral in

{ZnO}_{2}

.…”

Section: Introductionmentioning

confidence: 99%

In Situ Study of Zinc Peroxide Decomposition to Zinc Oxide by X‐Ray Absorption Spectroscopy and Reverse Monte Carlo Simulations

Kuzmin

Pudza

Klementiev

2022

Physica Status Solidi (b)

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The Zn K‐edge X‐ray absorption spectroscopy is used to investigate in situ the decomposition of zinc peroxide ( ZnO 2 ) 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 ZnO 2 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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Amorphous p‐Type Conducting Zn–xIr Oxide (x > 0.13) Thin Films Deposited by Reactive Magnetron Cosputtering

Zubkins

Timoshenko

Gabrusenoks

et al. 2021

Physica Status Solidi (b)

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Zn-Ir-O has hardly ever been systematically investigated in a wide Ir concentration range. Therefore, in this study, we employ X-ray diffraction, X-ray absorption spectroscopy (XAS), and Raman spectroscopy techniques to investigate the structure of Zn-Ir-O films (up to %70 at% Ir) deposited by reactive DC magnetron co-sputtering. Reverse Monte Carlo (RMC) simulations of the Zn K-edge EXAFS spectra are performed to study the local structure of Zn ions. The electrical conductivity, as well as the thermoelectric measurements, are also presented to determine the electrical conductivity of the films and to observe the transition from n-type to p-type conductivity. To evaluate the structure of films deposited at higher temperatures and the thermal stability of p-type conductivity, the films are also deposited at 300 C.

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A comprehensive study of structure and properties of nanocrystalline zinc peroxide

Cited by 8 publications

References 84 publications

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

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

In Situ Study of Zinc Peroxide Decomposition to Zinc Oxide by X‐Ray Absorption Spectroscopy and Reverse Monte Carlo Simulations

Amorphous p‐Type Conducting Zn–xIr Oxide (x > 0.13) Thin Films Deposited by Reactive Magnetron Cosputtering

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