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  4. Structure Determination and Compositional Modification of Body-Centered Tetragonal PX-Phase Lead Titanate
 
research article

Structure Determination and Compositional Modification of Body-Centered Tetragonal PX-Phase Lead Titanate

Wang, Jin  
•
Schenk, Kurt
•
Carvalho, Alexandra
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2011
Chemistry of Materials

The fibrous PX-phase of lead titanate (PT), which can be synthesized by a hydrothermal method, has been studied to clarify its structural aspects on the atomic level. By combining synchrotron X-ray diffraction and electron microscope analysis with a first-principles calculation, a unique open-channel structure with a 5.529 angstrom diameter bore through the whole wire is determined. First-principle modeling reveals that the PX-phase structure has an indirect wide band gap and a higher formation enthalpy than the tetragonal perovskite phase. Both the frequency and symmetry of Raman-active lattice vibrational modes have been identified with polarized Raman spectra on individual monocrystalline PX-phase PT wires, showing a good match with the first-principles calculation. Furthermore, the doping of Zr in the PX-phase PT and the influence on the structure were investigated, showing a limit of 17% incorporation of Zr in the PX-phase PT.

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Type
research article
DOI
10.1021/cm1030206
Web of Science ID

WOS:000290594700006

Author(s)
Wang, Jin  
Schenk, Kurt
Carvalho, Alexandra
Eerd, Ben Wylie-Van
Trodahl, Joe
Sandu, Cosmin S.
Bonin, Michel
Gregora, Ivan
He, Zhanbing
Yamada, Tomoaki  
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Date Issued

2011

Published in
Chemistry of Materials
Volume

23

Issue

10

Start page

2529

End page

2535

Subjects

lead titanate

•

fibrous PX phase

•

structure determination

•

open channels

•

synchrotron X-ray

•

first-principles calculation

•

lattice vibration modes

•

Raman scattering

•

Zr doping

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Hydrothermal Synthesis

•

Zirconate-Titanate

•

Precipitation

•

Pbtio3

•

Energy

Editorial or Peer reviewed

NON-REVIEWED

Written at

EPFL

EPFL units
LC  
Available on Infoscience
August 11, 2011
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/69968
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