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23Na NMR Spectroscopic Quantification of the Antiferroelectric− Ferroelectric Phase Coexistence in Sodium Niobate

Egert, Sonja and Zhang, Mao-Hua and Koruza, Jurij and Groszewicz, Pedro B. and Buntkowsky, Gerd (2020):
23Na NMR Spectroscopic Quantification of the Antiferroelectric− Ferroelectric Phase Coexistence in Sodium Niobate.
In: Journal of Physical Chemistry B, 124 (43), pp. 23852-23858. ISSN 1520-6106,
DOI: 10.1021/acs.jpcc.0c07202,
[Article]

Abstract

The irreversible field-induced phase transition between the antiferroelectric (P) and ferroelectric (Q) polymorphs of sodium niobate (NaNbO3) ceramics constitutes a focal point in improving the material’s energy storage properties. The coexistence of P and Q phases can be verified by X-ray and electron diffraction methods, but its extent remains elusive. Two-dimensional solid-state nuclear magnetic resonance (NMR) spectroscopy allows the quantification of relative amounts of the coexisting polymorphs, but the analysis of ceramic sample pieces requires a trade-off between sufficient sensitivity (at higher magnetic fields) and separation of the overlapping P and Q signals (at lower magnetic fields). In this contribution, we apply the satellite transition magic angle spinning (STMAS) pulse sequence in a quantitative analysis of the antiferroelectric−ferroelectric phase transition in NaNbO3 ceramics. Both field- and grain size-induced transitions are investigated and the coexistence of the Q and P phases after the application of an electric field is quantified to be approximately 50%:50%. No indication is found that the local structure of the field-induced Q polymorph differs fundamentally from that induced in small-sized grains. Furthermore, the sensitivity and resolution of STMAS is compared to previously reported applications of the triple quantum magic angle spinning (3QMAS) sequence to the NaNbO3 system.

Item Type: Article
Erschienen: 2020
Creators: Egert, Sonja and Zhang, Mao-Hua and Koruza, Jurij and Groszewicz, Pedro B. and Buntkowsky, Gerd
Title: 23Na NMR Spectroscopic Quantification of the Antiferroelectric− Ferroelectric Phase Coexistence in Sodium Niobate
Language: English
Abstract:

The irreversible field-induced phase transition between the antiferroelectric (P) and ferroelectric (Q) polymorphs of sodium niobate (NaNbO3) ceramics constitutes a focal point in improving the material’s energy storage properties. The coexistence of P and Q phases can be verified by X-ray and electron diffraction methods, but its extent remains elusive. Two-dimensional solid-state nuclear magnetic resonance (NMR) spectroscopy allows the quantification of relative amounts of the coexisting polymorphs, but the analysis of ceramic sample pieces requires a trade-off between sufficient sensitivity (at higher magnetic fields) and separation of the overlapping P and Q signals (at lower magnetic fields). In this contribution, we apply the satellite transition magic angle spinning (STMAS) pulse sequence in a quantitative analysis of the antiferroelectric−ferroelectric phase transition in NaNbO3 ceramics. Both field- and grain size-induced transitions are investigated and the coexistence of the Q and P phases after the application of an electric field is quantified to be approximately 50%:50%. No indication is found that the local structure of the field-induced Q polymorph differs fundamentally from that induced in small-sized grains. Furthermore, the sensitivity and resolution of STMAS is compared to previously reported applications of the triple quantum magic angle spinning (3QMAS) sequence to the NaNbO3 system.

Journal or Publication Title: Journal of Physical Chemistry B
Journal volume: 124
Number: 43
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Nonmetallic-Inorganic Materials
LOEWE
LOEWE > LOEWE-Schwerpunkte
LOEWE > LOEWE-Schwerpunkte > FLAME - Fermi Level Engineering Antiferroelektrischer Materialien für Energiespeicher und Isolatoren
Date Deposited: 03 Nov 2020 06:12
DOI: 10.1021/acs.jpcc.0c07202
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