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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