Resolving Diverse Oxygen Transport Pathways Across Sr-Doped Lanthanum Ferrite and Metal-Perovskite Heterostructures

Taylor, Sandra D.; Yano, Kayla H.; Sassi, Michel; Matthews, Bethany E.; Kautz, Elizabeth J.; Lambeets, Sten V.; Neuman, Sydney; Schreiber, Daniel K.; Wang, Le; Du, Yingge; Spurgeon, Steven R.

doi:10.1002/admi.202202276

Title: Resolving Diverse Oxygen Transport Pathways Across Sr-Doped Lanthanum Ferrite and Metal-Perovskite Heterostructures

Journal Article · Sun Jan 29 00:00:00 UTC 2023 · Advanced Materials Interfaces

DOI: https://doi.org/10.1002/admi.202202276 · OSTI ID:1922520

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Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States); Univ. of Washington, Seattle, WA (United States)

Perovskite structured transition metal oxides are important technological materials for catalysis and solid oxide fuel cell applications. Their functionality often depends on oxygen diffusivity and mobility through complex oxide heterostructures, which can be significantly impacted by structural and chemical modifications, such as doping. Further, when utilized within electrochemical cells, interfacial reactions with other components (e.g., Ni- and Cr-based alloy electrodes and interconnects) can influence the perovskite's reactivity and ion transport, leading to complex dependencies that are difficult to control in real-world environments. Here, this work uses isotopic tracers and atom probe tomography to directly visualize oxygen diffusion and transport pathways across perovskite and metal-perovskite heterostructures, that is, (Ni-Cr coated) Sr-doped lanthanum ferrite (La_0.5Sr_0.5FeO₃; LSFO). Annealing in ¹⁸O_2(g) results in elemental and isotopic redistributions through oxygen exchange (OE) in the LSFO while Ni-Cr undergoes oxidation via multiple mechanisms and transport pathways. Complementary density functional theory calculations at experimental conditions provide rationale for OE reaction mechanisms and reveal a complex interplay of different thermodynamic and kinetic drivers. These results shed light on the fundamental coupling of defects and oxygen transport in an important class of catalytic materials.

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Research Organization:: Pacific Northwest National Laboratory (PNNL), Richland, WA (United States)

Sponsoring Organization:: USDOE; USDOE Laboratory Directed Research and Development (LDRD) Program; USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); USDOE Office of Science (SC), Biological and Environmental Research (BER)

Grant/Contract Number:: AC05-76RL01830

OSTI ID:: 1922520

Report Number(s):: PNNL-SA--177776

Journal Information:: Advanced Materials Interfaces, Journal Name: Advanced Materials Interfaces Journal Issue: 7 Vol. 10; ISSN 2196-7350

Publisher:: Wiley-VCHCopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
atom exchange
atom probe tomography
density functional theory
oxygen diffusion
perovskites

Title: Resolving Diverse Oxygen Transport Pathways Across Sr-Doped Lanthanum Ferrite and Metal-Perovskite Heterostructures

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