Journal Article

FZJ-2016-06937

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Interstitial Oxide Ion Distribution and Transport Mechanism in Aluminum-Doped Neodymium Silicate Apatite Electrolytes

An, T. ; Baikie, T. ; Orera, A. ; Piltz, R. O. ; Meven, M.FZJ* ; Slater, P. R. ; Wei, J. (Corresponding author) ; Sanjuán, M. L. ; White, T. J.

2016
American Chemical Society Washington, DC

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Please use a persistent id in citations: doi:10.1021/jacs.5b13409

Abstract: Rare earth silicate apatites are one-dimensional channel structures that show potential as electrolytes for solid oxide fuel cells (SOFC) due to their high ionic conductivity at intermediate temperatures (500–700 °C). This advantageous property can be attributed to the presence of both interstitial oxygen and cation vacancies, that create diffusion paths which computational studies suggest are less tortuous and have lower activation energies for migration than in stoichiometric compounds. In this work, neutron diffraction of Nd(28+x)/3AlxSi6–xO26 (0 ≤ x ≤ 1.5) single crystals identified the locations of oxygen interstitials, and allowed the deduction of a dual-path conduction mechanism that is a natural extension of the single-path sinusoidal channel trajectory arrived at through computation. This discovery provides the most thorough understanding of the O2– transport mechanism along the channels to date, clarifies the mode of interchannel motion, and presents a complete picture of O2– percolation through apatite. Previously reported crystallographic and conductivity measurements are re-examined in the light of these new findings.

Keyword(s): Energy (1st) ; Condensed Matter Physics (2nd) ; Chemistry (2nd) ; Crystallography (2nd)

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Contributing Institute(s):

1. JCNS-FRM-II (JCNS (München) ; Jülich Centre for Neutron Science JCNS (München) ; JCNS-FRM-II)
2. Streumethoden (JCNS-2)

Research Program(s):

1. 6G4 - Jülich Centre for Neutron Research (JCNS) (POF3-623) (POF3-623)
2. 6G15 - FRM II / MLZ (POF3-6G15) (POF3-6G15)

Experiment(s):

1. HEiDi: Single crystal diffractometer on hot source (SR9b)

Appears in the scientific report 2016

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Database coverage:
; BIOSIS Previews ; Current Contents - Life Sciences ; Current Contents - Physical, Chemical and Earth Sciences ; Ebsco Academic Search ; IF >= 10 ; JCR ; NCBI Molecular Biology Database ; Nationallizenz ; No Authors Fulltext ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection

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