Unconventional Highly Active and Stable Oxygen Reduction Catalysts Informed by Computational Design Strategies

Jacobs, Ryan; Liu, Jian; Na, Beom Tak; Guan, Bo; Yang, Tao; Lee, Shiwoo; Hackett, Greg; Kalapos, Tom; Abernathy, Harry; Morgan, Dane

doi:10.1002/aenm.202201203

Title: Unconventional Highly Active and Stable Oxygen Reduction Catalysts Informed by Computational Design Strategies

Journal Article · 17 May 2022 · Advanced Energy Materials

DOI: https://doi.org/10.1002/aenm.202201203 · OSTI ID:1868649

^[1]; Liu, Jian ^[2]; Na, Beom Tak ^[2]; Guan, Bo ^[3]; Yang, Tao ^[3]; Lee, Shiwoo ^[3]; Hackett, Greg ^[2]; Kalapos, Tom ^[3]; Abernathy, Harry ^[2]; Morgan, Dane ^[1]

Department of Materials Science and Engineering University of Wisconsin‐ Madison Madison WI USA
DOE National Energy Technology Laboratory Morgantown WV USA
DOE National Energy Technology Laboratory Morgantown WV USA, Leidos Research Support Team Morgantown WV USA

Abstract Discovering and engineering new materials with fast oxygen surface exchange kinetics and robust long‐term stability is essential for the large‐scale, economically viable commercialization of solid oxide fuel cell (SOFC) technology. The perovskite catalyst material BaFe _0.125 Co _0.125 Zr _0.75 O ₃ (BFCZ75), predicted to be promising from recent density functional theory (DFT) calculations and unconventional due to its extremely high Zr content and low electronic conductivity, exhibits oxygen reduction reaction surface exchange rates on par with Ba _0.5 Sr _0.5 Co _0.8 Fe _0.2 O ₃ (BSCF) and excellent stability at typical operating temperatures. New composite electrodes are engineered by integrating BFCZ75 with commercial electrode materials La _1– _x Sr _x MnO ₃ (LSM) and La _1– _x Sr _x Co _y Fe _1– _y O ₃ (LSCF) and achieve high performance as measured by low area specific resistance (ASR) values, with the LSCF/BFCZ75 ASR values comparable to top performing noncomposite electrode materials such as SrCo _0.8 Sc _0.2 O _3– _δ , BaNb _0.05 Fe _0.95 O _3– _δ and BaCo _0.7 Fe _0.22 Y _0.08 O _3– _δ . The use of BFCZ75 as a composite with LSCF achieving low ASR values shows that BFCZ75 is highly active and can easily integrate into existing SOFC material supply chains, lowering the barrier for potential commercial application of new electrode materials. Finally, these findings point to a broader unexplored class of perovskite materials with high fractions of redox inactive species (e.g., Zr, Nb, and Ta) that may unlock new pathways to realizing improved commercial SOFCs.

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Sponsoring Organization:: USDOE

OSTI ID:: 1868649

Journal Information:: Advanced Energy Materials, Journal Name: Advanced Energy Materials Journal Issue: 25 Vol. 12; ISSN 1614-6832

Publisher:: Wiley Blackwell (John Wiley & Sons)Copyright Statement

Country of Publication:: Germany

Language:: English

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