Determination of oxygen sites in the crystal structure of A-site deficient Pr2-xNiO4±delta (x: 0, 0.05, 0.1, 0.15, 0.2) as a function of pO2 and temperature

PID

The Ruddlesden-Popper type Pr2-xNiO4±delta is one of the most potential membrane materials for the design of intermediate temperature solid oxide fuel cell cathodes and oxygen separation membranes due to their extremely high oxygen diffusivity. A-site deficiency improves the oxygen diffusivity in the Pr2-xNiO4±delta, which may be caused by a lower diffusion barrier for oxygen atoms at the A-site. The composition of Pr2-xNiO4±delta (x=0.0, 0.5, 1.0, 1.5, 2.0) at maximum oxygen mobility is known only roughly until now, and the oxygen diffusion mechanism of this material is also not clear. In this work, nuclear density maps based on neutron diffraction will be created at for different A-site deficiencies, the oxygen sites will be determined based on Rietveld refinement.

Identifier
PID https://hdl.handle.net/21.11151/in72-paru
Related Identifier IsCompiledBy https://doi.org/10.5442/NI000002
Metadata Access https://data.helmholtz-berlin.de/oaipmh/request?verb=GetRecord&metadataPrefix=oai_datacite&identifier=oai:data.helmholtz-berlin.de:inv/5222
Provenance
Instrument E9 - Fine Resolution Powder Diffractometer (FIREPOD),
Publisher Helmholtz-Zentrum Berlin für Materialien und Energie
Contributor Schumacher, Gerhard; Scherb, Tobias; Ning, De; Ruhl, Rian; Zhou, Dong; Zhang, Li; Helmholtz-Zentrum Berlin für Materialien und Energie
Publication Year 2022
Rights Creative Commons Zero v1.0 Universal; https://creativecommons.org/publicdomain/zero/1.0/
OpenAccess true
Representation
Resource Type Investigation; Collection
Size 804.32 MiB
Discipline Other
Temporal Coverage Begin 2017-05-23T06:00:00Z
Temporal Coverage End 2017-05-29T07:48:26Z