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Characterization of oxygen dynamics in ZrW2O8
Matthew R Hampson1, John S O Evans, Paul Hodgkinson
1Department of Chemistry, Durham University, South Road, Durham DH1 3LE, UK.
Oxygen motion in ZrW(2)O(8) was studied using (17)O solid-state NMR. Distinct activation barriers were found below and above the phase transition, revealing ongoing oxygen dynamics even in the ordered phase.
Area of Science:
- Solid-state NMR spectroscopy
- Materials science
- Chemical physics
Background:
- Zirconium tungstate (ZrW(2)O(8)) exhibits a unique order/disorder phase transition.
- Understanding oxygen dynamics is crucial for explaining its properties.
Purpose of the Study:
- To characterize the dynamics of oxygen motion in ZrW(2)O(8).
- To investigate the influence of the order/disorder phase transition on oxygen dynamics.
Main Methods:
- Utilized (17)O solid-state Nuclear Magnetic Resonance (NMR) spectroscopy.
- Performed magnetization transfer experiments over a temperature range of 40 to 226°C.
Main Results:
- Extracted rates of dynamic exchange for oxygen motion.
- Observed distinct activation energy barriers below and above the phase transition at ~175°C.
- Identified continued oxygen dynamics in the low-temperature ordered phase.
Conclusions:
- The study provides a detailed model for oxygen dynamics in ZrW(2)O(8).
- The findings reconcile NMR observations with X-ray diffraction data, explaining dynamics in the ordered phase.
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