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Perovskite Structure Stability in Metal Oxynitrides

Li, Wenjie and Gurlo, Aleksander and Ionescu, Emanuel and Riedel, Ralf (2012):
Perovskite Structure Stability in Metal Oxynitrides.
In: Zeitschrift für anorganische und allgemeine Chemie, 638 (10), p. 1631, ISSN 00442313,
[Online-Edition: http://dx.doi.org/10.1002/zaac.201204129],
[Article]

Abstract

Metal oxynitrides with perovskite structure have been shown to exhibit promising and intriguing optical, dielectric, magnetoresistive or photocatalytic properties.1 They are formally obtained from perovskite oxides via substitution of oxygen by nitrogen.2 However, due to the stability of the M–O bond, only a limited number of nitrogen-doped perovskitesABO3–xNx) and stoichiometric oxynitrides (ABO2N and ABON2) has been synthesized and studied so far. Different case studies revealed that the oxidation states of the cations, the O/N ratio, as well as the anion ordering significantly affect their properties. In the present work we investigate the effect of these parameters on the stability of the perovskite phase in oxynitrides. On one hand we apply the Goldschmidt (tolerance) factor to assess the geometrical stability of the perovskite structure in oxynitrides. On the other hand, we consider the mechanism of charge compensation in nitride-substituted oxides (N3– vs. O2–). The latter requires an increase in the oxidation state of the substituent cations, which contradicts the reduction processes occurring upon high-temperature ammonolysis. The present approach allows for predicting the stability of the perovskite structure in oxynitrides and is supported by our results related to the synthesis of the Ba–Mo–O/N, Ba–W–O/N, La–Mo–O/N, Sr–Mo–O/N and Ba–V–O/N compounds.

Item Type: Article
Erschienen: 2012
Creators: Li, Wenjie and Gurlo, Aleksander and Ionescu, Emanuel and Riedel, Ralf
Title: Perovskite Structure Stability in Metal Oxynitrides
Language: English
Abstract:

Metal oxynitrides with perovskite structure have been shown to exhibit promising and intriguing optical, dielectric, magnetoresistive or photocatalytic properties.1 They are formally obtained from perovskite oxides via substitution of oxygen by nitrogen.2 However, due to the stability of the M–O bond, only a limited number of nitrogen-doped perovskitesABO3–xNx) and stoichiometric oxynitrides (ABO2N and ABON2) has been synthesized and studied so far. Different case studies revealed that the oxidation states of the cations, the O/N ratio, as well as the anion ordering significantly affect their properties. In the present work we investigate the effect of these parameters on the stability of the perovskite phase in oxynitrides. On one hand we apply the Goldschmidt (tolerance) factor to assess the geometrical stability of the perovskite structure in oxynitrides. On the other hand, we consider the mechanism of charge compensation in nitride-substituted oxides (N3– vs. O2–). The latter requires an increase in the oxidation state of the substituent cations, which contradicts the reduction processes occurring upon high-temperature ammonolysis. The present approach allows for predicting the stability of the perovskite structure in oxynitrides and is supported by our results related to the synthesis of the Ba–Mo–O/N, Ba–W–O/N, La–Mo–O/N, Sr–Mo–O/N and Ba–V–O/N compounds.

Journal or Publication Title: Zeitschrift für anorganische und allgemeine Chemie
Volume: 638
Number: 10
Uncontrolled Keywords: oxynitrides, stability, tolernace factor, synthesis
Divisions: 11 Department of Materials and Earth Sciences > Material Science > Dispersive Solids
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences
Date Deposited: 21 Mar 2013 08:29
Official URL: http://dx.doi.org/10.1002/zaac.201204129
Identification Number: doi:10.1002/zaac.201204129
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