A strontium-free and iron-based oxygen electrode for solid-oxide electrochemical cells (SOCs)

Zeng, Qimiao; Liu, Xiaojing; Xie, Deti; Ni, Jiupai; Ni, Chengsheng

doi:10.1016/j.ijhydene.2019.04.061

Cited by 14 publications

(14 citation statements)

References 71 publications

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“…(column 29), antimonates (column 20), and bismuthates (column 21) are oxide ion conductors, while others along with vanadates 73,74 (column 24) are electronic conductors as also predicted by our classification model (see Fig. 4d, e).…”

Section: Screening Of Stable Pure Perovskitessupporting

confidence: 59%

Accelerated design and discovery of perovskites with high conductivity for energy applications through machine learning

Priya

Aluru

2021

npj Comput Mater

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We use machine learning tools for the design and discovery of ABO3-type perovskite oxides for various energy applications, using over 7000 data points from the literature. We demonstrate a robust learning framework for efficient and accurate prediction of total conductivity of perovskites and their classification based on the type of charge carrier at different conditions of temperature and environment. After evaluating a set of >100 features, we identify average ionic radius, minimum electronegativity, minimum atomic mass, minimum formation energy of oxides for all B-site, and B-site dopant ions of the perovskite as the crucial and relevant predictors for determining conductivity and the type of charge carriers. The models are validated by predicting the conductivity of compounds absent in the training set. We screen 1793 undoped and 95,832 A-site and B-site doped perovskites to report the perovskites with high conductivities, which can be used for different energy applications, depending on the type of the charge carriers.

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Section: Screening Of Stable Pure Perovskitessupporting

confidence: 59%

Accelerated design and discovery of perovskites with high conductivity for energy applications through machine learning

Priya

Aluru

2021

npj Comput Mater

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“…for Ce20SF, Ce20SF-R and Ce20SFR showed two splits at 529.5 eV and 531.5 eV, which are attributed to the lattice oxygen (marked as M-O) and oxygen vacancies or carboxyl groups, respectively 51 . In Ce20SFR-R, the O 1s split with very high binding energy at 534.5 eV could be related to the absorbed C=O species on the surface of Ru 0 52 .…”

Section: Resultsmentioning

confidence: 98%

A Ce/Ru Codoped SrFeO_3−δ Perovskite for a Coke-Resistant Anode of a Symmetrical Solid Oxide Fuel Cell

et al. 2020

ACS Catal.

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Employment of identical oxides for the cathode and anode in a symmetrical solid oxide fuel cell (SSOFC) is beneficial for decreasing the fabrication costs of a robust cell. Ce doping on the A-site in SrFeO3 increased the structural stability in a reducing atmosphere, but ceria was found to exsolve from the perovskite during the cooling process in the air if the doping level reached 20 at. %. The additional doping of 5 at. % Ru in Sr0.8Ce0.2FeO3 on the Fe site could prevent the ceria segregation in air and induce the surface decomposition under fuel conditions for the formation of nanoscale SrO, CeO2 and Ru 0 . The SSOFC with Ce/Ru co-doped SrFeO3 on a Sr-and Mg-doped LaGaO3 (LSGM) electrolyte showed a small Rp value (0.12  cm 2 ) when H2 and the ambient air were used as fuel and oxidant, respectively. The peak power densities of 846 mW cm -2 and 310 mW cm -2 were achieved at 800 o C using H2 and C3H8 as fuel, respectively. The excellent coke resistance of the anode could be related to the simultaneous in situ exsolution of CeO2, SrO and Ru 0 nanoparticles.

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“…The change of Fe 4+ in air to Fe 2+ in reducing atmosphere is very likely to induce phase transition as in SrFeO3 and SrFeO2 with Fe 4+ in <FeO6> octahedron site and Fe 2+ in square <FeO4> planar coordination, respectively 47 . The MgO doping in La0.95FeO3 increases the Fe 4+ content for the electronic conduction in air 37 , but the substitution of Mg 2+ for Fe 3+ stabilises the structure as it decreases the reducible Fe cations in the lattice in a reducing atmosphere.…”

Section: X-ray Photoemission Spectroscopymentioning

confidence: 99%

“…Good chemical compatibility between the electrode material is important for the assembly of different component as well as for the long-term operation of a fuel cell37 . For example, the NiO oxide is reactive with LSGM electrolyte even at temperatures as low as 600…”

mentioning

confidence: 99%

“…The detailed calculation of Fe 2+ represented by the peak at lower binding energy indicates that it accounts for 8.7%, 32.8% and 27.4% of the total Fe 3+/2+ species for LFM, LFMT and LFNT, respectively.The high Fe 2+ content in LFMT and LFNT facilitates the charge carrier transport along Fe 3+ -O-Fe 2+ bonds, which is consistent with the high conductivity of them as the spinel type Fe3O4 with 1/3 divalent Fe 2+ cation showing nearly a metallic conductivity. The split in O1s at 258.5-259 can be attributed to the <MO> (M=cation) bonds while those at higher binding energy could be related to the oxygen vacancies (at 531 eV) or absorbed OH group (at 533 eV)37 as evidenced by the oxygen loss during the reduction process and an obvious weight gain during the cooling in the TGA curves. LFMT and LFNT with Ti 4+ on B site showed a higher binding energy for O1s and Fe2p in <MO> bond than LFM as a result of the higher valency of Ti 4+ than Fe 2+/3+ .…”

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confidence: 99%

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A B-site doped perovskite ferrate as an efficient anode of a solid oxide fuel cell with in situ metal exsolution

Zeng

et al. 2019

J. Mater. Chem. A

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A strontium-free and iron-based oxygen electrode for solid-oxide electrochemical cells (SOCs)

Cited by 14 publications

References 71 publications

Accelerated design and discovery of perovskites with high conductivity for energy applications through machine learning

Accelerated design and discovery of perovskites with high conductivity for energy applications through machine learning

A Ce/Ru Codoped SrFeO_3−δ Perovskite for a Coke-Resistant Anode of a Symmetrical Solid Oxide Fuel Cell

A B-site doped perovskite ferrate as an efficient anode of a solid oxide fuel cell with in situ metal exsolution

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A strontium-free and iron-based oxygen electrode for solid-oxide electrochemical cells (SOCs)

Cited by 14 publications

References 71 publications

Accelerated design and discovery of perovskites with high conductivity for energy applications through machine learning

Accelerated design and discovery of perovskites with high conductivity for energy applications through machine learning

A Ce/Ru Codoped SrFeO3−δ Perovskite for a Coke-Resistant Anode of a Symmetrical Solid Oxide Fuel Cell

A B-site doped perovskite ferrate as an efficient anode of a solid oxide fuel cell with in situ metal exsolution

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A Ce/Ru Codoped SrFeO_3−δ Perovskite for a Coke-Resistant Anode of a Symmetrical Solid Oxide Fuel Cell