Understanding the effects of fabrication process on BaZr0.9Y0.1O3–δ grain-boundary chemistry using atom probe tomography

Clark, Daniel R.; Diercks, David R.; Ricote, Sandrine; Tauer Dearden, Tania; Sullivan, Neal P.; Medlin, J. Will; Gorman, Brian P.; O’Hayre, Ryan P.

doi:10.1039/d2tc04093j

Understanding the effects of fabrication process on BaZr_0.9Y_0.1O_3–δ grain-boundary chemistry using atom probe tomography

Journal Article · Wed Mar 15 00:00:00 EDT 2023 · Journal of Materials Chemistry C

DOI:https://doi.org/10.1039/d2tc04093j· OSTI ID:2345158

^[1]; ^[2]; ^[2]; Tauer Dearden, Tania ^[3]; Sullivan, Neal P. ^[2]; ^[4]; Gorman, Brian P. ^[2]; ^[2]

Colorado School of Mines, Golden, CO (United States); Univ. of Oslo (Norway); Northwestern University
Colorado School of Mines, Golden, CO (United States)
Foundry10, Seattle, WA (United States)
Univ. of Colorado, Boulder, CO (United States)

Proton-conducting oxides, such as BaZr_0.9Y_0.1O_3–δ (BZY10), are receiving significant scientific attention for application in a variety of electrochemical applications. It has been shown that the synthesis route has a significant effect on the ionic behavior of these materials, especially the grain boundaries (GB). In this study, laser-pulsed atom probe tomography (APT) is used to characterize the GB chemistry of BZY10 samples prepared by four different methods: (1) spark plasma sintering (SPS), (2) conventional sintering followed by high-temperature annealing (HT), (3) conventional sintering with NiO used as a sintering aid (SSR-Ni), and (4) solid-state reactive sintering of oxide precursor powders with NiO as a reactive sintering aid (SSRS-Ni). Oxygen depletion (corresponding to oxygen vacancy accumulation) was observed at every GB in this study, consistent with the positive space-charge GB region commonly assigned to these materials. In contrast to the consistent trends associated with oxygen depletion, cation constituents showed varying segregation/depletion behaviors. The samples that used NiO revealed Ni preferentially segregating to the GB. The most common impurities in BZY10 are Al, Fe, Mg, Si, and Sr, all of which generally accumulate at GBs. In order to quantify these chemical trends, the APT method was optimized for this material supplemented with understanding from density functional theory (DFT). Finally, this APT study reveals the complexity of BZY10 GB chemistry and shows that even adjacent GBs in the same material can sometimes show surprisingly different GB chemistry.

View Accepted Manuscript (DOE)

Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Hydrogen in Energy and Information Sciences (HEISs)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0023450

OSTI ID:: 2345158

Alternate ID(s):: OSTI ID: 1963118

Journal Information:: Journal of Materials Chemistry C, Journal Name: Journal of Materials Chemistry C Journal Issue: 15 Vol. 11; ISSN 2050-7526

Publisher:: Royal Society of ChemistryCopyright Statement

Country of Publication:: United States

Language:: English

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