Influence of A-site deficiency on structural evolution of Pr2-xNiO4+δ with temperature

De Ning, Aykut Baki, Tobias Scherb, Jia Song, Andrea Fantin, Xinzhi Liu, Gerhard Schumacher, John Banhart, Henny J.M. Bouwmeester* (Corresponding Author)

*Corresponding author for this work

Research output: Contribution to journalArticleAcademicpeer-review

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Abstract

We report on the structural evolution with temperature of layered A-site deficient Pr2-xNiO4+δ (x = 0 - 0.2) with the K2NiF4 structure. Data of neutron diffraction and thermogravimetric analysis reveals that Pr deficiency causes generation of lattice oxygen vacancies on equatorial and apical sites but does not influence the concentration of interstitial oxygen. High-temperature X-ray diffraction shows for all materials a reversible orthorhombic-to-tetragonal phase transition with negligible hysteresis in the range ~400 - 450 °C, reducing tilting and twisting of the NiO6 octahedra. The phase transition temperature is found to decrease slightly with increasing A-site deficiency. Thermal decomposition to Pr4-zNi3O10-y and Pr6O11 is found to occur in the temperature range 580 - 800 °C with apparent activation energy 166 - 221 kJ/mol.
Original languageEnglish
Article number115056
JournalSolid state ionics
Volume342
Early online date28 Aug 2019
DOIs
Publication statusPublished - 1 Dec 2019

Fingerprint

twisting
oxygen
Phase transitions
thermal decomposition
neutron diffraction
interstitials
transition temperature
hysteresis
Oxygen vacancies
Neutron diffraction
activation energy
Temperature
Superconducting transition temperature
temperature
Hysteresis
Thermogravimetric analysis
causes
Pyrolysis
Activation energy
diffraction

Keywords

  • UT-Hybrid-D
  • Neutron diffraction
  • SOFC cathode
  • Pr2-xNiO4+delta
  • High-temperature X-ray diffraction
  • Thermal stability

Cite this

Ning, De ; Baki, Aykut ; Scherb, Tobias ; Song, Jia ; Fantin, Andrea ; Liu, Xinzhi ; Schumacher, Gerhard ; Banhart, John ; Bouwmeester, Henny J.M. / Influence of A-site deficiency on structural evolution of Pr2-xNiO4+δ with temperature. In: Solid state ionics. 2019 ; Vol. 342.
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title = "Influence of A-site deficiency on structural evolution of Pr2-xNiO4+δ with temperature",
abstract = "We report on the structural evolution with temperature of layered A-site deficient Pr2-xNiO4+δ (x = 0 - 0.2) with the K2NiF4 structure. Data of neutron diffraction and thermogravimetric analysis reveals that Pr deficiency causes generation of lattice oxygen vacancies on equatorial and apical sites but does not influence the concentration of interstitial oxygen. High-temperature X-ray diffraction shows for all materials a reversible orthorhombic-to-tetragonal phase transition with negligible hysteresis in the range ~400 - 450 °C, reducing tilting and twisting of the NiO6 octahedra. The phase transition temperature is found to decrease slightly with increasing A-site deficiency. Thermal decomposition to Pr4-zNi3O10-y and Pr6O11 is found to occur in the temperature range 580 - 800 °C with apparent activation energy 166 - 221 kJ/mol.",
keywords = "UT-Hybrid-D, Neutron diffraction, SOFC cathode, Pr2-xNiO4+delta, High-temperature X-ray diffraction, Thermal stability",
author = "De Ning and Aykut Baki and Tobias Scherb and Jia Song and Andrea Fantin and Xinzhi Liu and Gerhard Schumacher and John Banhart and Bouwmeester, {Henny J.M.}",
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year = "2019",
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language = "English",
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Ning, D, Baki, A, Scherb, T, Song, J, Fantin, A, Liu, X, Schumacher, G, Banhart, J & Bouwmeester, HJM 2019, 'Influence of A-site deficiency on structural evolution of Pr2-xNiO4+δ with temperature', Solid state ionics, vol. 342, 115056. https://doi.org/10.1016/j.ssi.2019.115056

Influence of A-site deficiency on structural evolution of Pr2-xNiO4+δ with temperature. / Ning, De; Baki, Aykut; Scherb, Tobias; Song, Jia; Fantin, Andrea; Liu, Xinzhi; Schumacher, Gerhard; Banhart, John; Bouwmeester, Henny J.M. (Corresponding Author).

In: Solid state ionics, Vol. 342, 115056, 01.12.2019.

Research output: Contribution to journalArticleAcademicpeer-review

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T1 - Influence of A-site deficiency on structural evolution of Pr2-xNiO4+δ with temperature

AU - Ning, De

AU - Baki, Aykut

AU - Scherb, Tobias

AU - Song, Jia

AU - Fantin, Andrea

AU - Liu, Xinzhi

AU - Schumacher, Gerhard

AU - Banhart, John

AU - Bouwmeester, Henny J.M.

N1 - Elsevier deal

PY - 2019/12/1

Y1 - 2019/12/1

N2 - We report on the structural evolution with temperature of layered A-site deficient Pr2-xNiO4+δ (x = 0 - 0.2) with the K2NiF4 structure. Data of neutron diffraction and thermogravimetric analysis reveals that Pr deficiency causes generation of lattice oxygen vacancies on equatorial and apical sites but does not influence the concentration of interstitial oxygen. High-temperature X-ray diffraction shows for all materials a reversible orthorhombic-to-tetragonal phase transition with negligible hysteresis in the range ~400 - 450 °C, reducing tilting and twisting of the NiO6 octahedra. The phase transition temperature is found to decrease slightly with increasing A-site deficiency. Thermal decomposition to Pr4-zNi3O10-y and Pr6O11 is found to occur in the temperature range 580 - 800 °C with apparent activation energy 166 - 221 kJ/mol.

AB - We report on the structural evolution with temperature of layered A-site deficient Pr2-xNiO4+δ (x = 0 - 0.2) with the K2NiF4 structure. Data of neutron diffraction and thermogravimetric analysis reveals that Pr deficiency causes generation of lattice oxygen vacancies on equatorial and apical sites but does not influence the concentration of interstitial oxygen. High-temperature X-ray diffraction shows for all materials a reversible orthorhombic-to-tetragonal phase transition with negligible hysteresis in the range ~400 - 450 °C, reducing tilting and twisting of the NiO6 octahedra. The phase transition temperature is found to decrease slightly with increasing A-site deficiency. Thermal decomposition to Pr4-zNi3O10-y and Pr6O11 is found to occur in the temperature range 580 - 800 °C with apparent activation energy 166 - 221 kJ/mol.

KW - UT-Hybrid-D

KW - Neutron diffraction

KW - SOFC cathode

KW - Pr2-xNiO4+delta

KW - High-temperature X-ray diffraction

KW - Thermal stability

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DO - 10.1016/j.ssi.2019.115056

M3 - Article

VL - 342

JO - Solid state ionics

JF - Solid state ionics

SN - 0167-2738

M1 - 115056

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