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- W3212892912 abstract "Oxygen (O2) storage materials often rely on the presence of cobalt (Co) to reduce the thermodynamic penalty and increase the kinetics necessary for efficient O2 storage and release. In this work, we investigate nickel (Ni) as an alternative B-site dopant in Sr1−xCaxFeO3 to identify Co-free carriers that still show improved kinetics at low temperatures. In fact, we show a substantial increase in the reversible O2 release rate through mild Ni B-site substitution (y = 0.06) in select Sr1−xCaxFe1−yNiyO3 systems at 400–500 °C, reaching 2.00 wt% O2 release up to approximately 75% faster than Ni-free systems. To explain the role of Ni in these systems, we use density functional theory to calculate the O2 vacancy (VO) formation energy from separate metal-oxygen (M-O) bonding and relaxation components. We computationally show elongated Ni-O bonds are directly responsible for the decrease in VO upon Ni substitution." @default.
- W3212892912 created "2021-11-22" @default.
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- W3212892912 date "2022-03-01" @default.
- W3212892912 modified "2023-10-18" @default.
- W3212892912 title "Nickel B-site substitution in bulk Sr1−xCaxFeO3 perovskite oxygen carriers: Benefits and limitations" @default.
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- W3212892912 doi "https://doi.org/10.1016/j.jallcom.2021.162783" @default.
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