Crystal structure, diffusion path, and oxygen permeability of a Pr(2)NiO(4)-based mixed conductor (Pr(0.9)La(0.1))(2)(Ni(0.74)Cu(0.21)Ga(0.05))O(4+delta)

Journal of the American Chemical Society
Masatomo YashimaTatsumi Ishihara

Abstract

We have investigated in situ the crystal structure, oxygen diffusion path, oxygen permeation rate, and electrical conductivity of a doped praseodymium nickel oxide, Pr(2)NiO(4)-based mixed conductor, (Pr(0.9)La(0.1))(2)(Ni(0.74)Cu(0.21)Ga(0.05))O(4+delta) (PLNCG) in air between 27 degrees C and 1015.6 degrees C. The PLNCG has a tetragonal I4/mmm K(2)NiF(4)-type structure which consists of a (Pr(0.9)La(0.1))(Ni(0.74)Cu(0.21)Ga(0.05))O(3) perovskite unit and a (Pr(0.9)La(0.1))O rock salt unit in the whole temperature range. Both experimental and theoretical electron density maps indicated two-dimensional networks of (Ni(0.74)Cu(0.21)Ga(0.05))-O covalent bonds in PLNCG. Highest occupied molecular orbitals (HOMO) in PLNCG demonstrate that the electron-hole conduction occurs via Ni and Cu atoms in the (Ni(0.74)Cu(0.21)Ga(0.05))-O layer. The bulk oxygen permeation rate was high (137 mumol cm(-2) min(-1) at 1000 degrees C), and its activation energy was low (51 kJ mol(-1) at 950 degrees C). The Rietveld method, maximum-entropy method (MEM), and MEM-based pattern fitting analyses of neutron and synchrotron diffraction data indicate a large anisotropic thermal motion of the apical O2 oxygen at the 4e site (0, 0, z; z approximately 0.2) ...Continue Reading

References

Oct 28, 1996·Physical Review Letters·J P PerdewM Ernzerhof
Jan 6, 2004·Nature Materials·A AtkinsonJ Vohs
Sep 10, 2004·Nature·Zongping Shao, Sossina M Haile
Jan 27, 2005·Chemical Reviews·Stuart B Adler
Mar 1, 1996·Journal of Synchrotron Radiation·H TorayaK Ohsumi
Feb 9, 2008·Journal of the American Chemical Society·Masatomo YashimaTatsumi Ishihara
May 21, 2008·Acta Crystallographica. Section B, Structural Science·Masatomo YashimaKazunari Domen

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Citations

Jan 14, 2016·Dalton Transactions : an International Journal of Inorganic Chemistry·Thibault BrouxOlivier Hernandez
May 24, 2018·Dalton Transactions : an International Journal of Inorganic Chemistry·Ryota InoueMasatomo Yashima
Sep 14, 2012·Journal of Physics. Condensed Matter : an Institute of Physics Journal·S M AsperaT Ishihara
Mar 8, 2020·Nature Communications·Wenrui ZhangMasatomo Yashima
Aug 19, 2011·Chemistry : a European Journal·Sirikanda NuansaengTatsumi Ishihara
Dec 8, 2020·ACS Omega·Pragati SinghPrabhakar Singh

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