Local Ordering, Distortion, and Redox Activity in (La 0.75 Sr 0.25 )(Mn 0.25 Fe 0.25 Co 0.25 Al 0.25 )O 3 Investigated by a Computational Workflow for Compositionally Complex Perovskite Oxides

Xu, Boyuan; Park, Jiyun; Zhang, Dawei; De Santiago, Héctor A.; Li, Wei; Liu, Xingbo; Luo, Jian; Lany, Stephan; Qi, Yue

doi:10.1021/acs.chemmater.3c03038

Title: Local Ordering, Distortion, and Redox Activity in (La _0.75 Sr _0.25 )(Mn _0.25 Fe _0.25 Co _0.25 Al _0.25 )O ₃ Investigated by a Computational Workflow for Compositionally Complex Perovskite Oxides

Journal Article · 12 May 2024 · Chemistry of Materials

DOI: https://doi.org/10.1021/acs.chemmater.3c03038 · OSTI ID:2349558

; Park, Jiyun; Zhang, Dawei; De Santiago, Héctor A.;

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; Luo, Jian;

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Sponsoring Organization:: USDOE

Grant/Contract Number:: AC36-08GO28308; EE0008839

OSTI ID:: 2349558

Alternate ID(s):: OSTI ID: 2367463; OSTI ID: 2370101; OSTI ID: 2482631; OSTI ID: 2482632

Journal Information:: Chemistry of Materials, Journal Name: Chemistry of Materials Journal Issue: 10 Vol. 36; ISSN 0897-4756

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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Title: Local Ordering, Distortion, and Redox Activity in (La _0.75 Sr _0.25 )(Mn _0.25 Fe _0.25 Co _0.25 Al _0.25 )O ₃ Investigated by a Computational Workflow for Compositionally Complex Perovskite Oxides