Ion transport in dry and hydrated Ba0.95La0.05(Fe1−xYx)O3−δ and implications for oxygen electrode kinetics of protonic ceramic cells

Christian Berger, Tolga Acartürk, Ulrich Starke, Joachim Maier and Rotraut Merkle

J. Mater. Chem. A, 2025, 13, 21575
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Proton–polaron and energy landscape among acceptor doped ACeO3 (A = Ba2+, Sr2+, Ca2+, Mg2+) proton conductors: a first principles approach

D. Vignesh and Ela Rout

Phys. Chem. Chem. Phys., 2025, 27, 8435
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Uncovering fast solid-acid proton conductors based on dynamics of polyanion groups and proton bonding strength

Pjotrs Žguns, Konstantin Klyukin, Louis S. Wang, Grace Xiong, Ju Li, Sossina M. Haile and Bilge Yildiz

Energy Environ. Sci., 2024, 17, 5730
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Theoretical study on electrocatalytic carbon dioxide reduction over copper with copper-based layered double hydroxides

Xin-Yu Xu, Jing-Yi Guo, Wei Zhang, Yao Jie, Hui-Ting Song, Hao Lu, Yi-Fan Zhang, Jia Zhao, Chen-Xu Hu and Hong Yan

Phys. Chem. Chem. Phys., 2024, 26, 4480
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Segregation and interdiffusion processes in perovskites: a review of recent advances

Natalia Porotnikova and Denis Osinkin

J. Mater. Chem. A, 2024, 12, 2620
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Features of exchange kinetics of BaFeO3−δ-based triple-conducting materials: current state of research

Natalia Porotnikova, Anna Khodimchuk and Denis Osinkin

J. Mater. Chem. A, 2025, 13, 27907
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Proton migration pathways and hydrogen evolution mechanism in g-C3N4/TiO2-B and Li–F co-doped heterostructures: a theoretical study

Shuhan Tang, Qi Jiang, Shuang Qiu, Hanyang Ji and Xiaojie Liu

J. Mater. Chem. A, 2026, 14, 10279
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Hydration and Proton Kinetics in Ce-Doped Co-Free Perovskite for the Triple-Conducting Cathode in Solid Oxide Fuel Cells

Ke Wang, Yu Han, Bo An, Xu Jia, Yongqing Wang, Lu Li, Zunchao Liu and Dongxing Song

J. Phys. Chem. C, 2024, 128, 4404
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Probing the role of Fe and Sr co-doped BaZrO3 for enhanced cathode performance in protonic ceramics fuel cells

Yanru Yin, Qi Xiao, Wenying Zhang, Kai Li, Dong Yan, Jian Li and Lichao Jia

International Journal of Hydrogen Energy, 2025, 139, 510
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Data-driven discovery of thermo-mechanically compatible Mn-based air electrodes for high-performance reversible protonic ceramic cells

Yuhao Zhao, Liya Zhu, Yihang Li, Heng Pan, Chuanwang Ming, Wenhao Li, Guixin Jia, Yubin Chen and Youjun Lu

Chemical Engineering Journal, 2025, 524, 169818
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Potassium Diffusion in Mono‐ and Bi‐Crystalline SrTiO3 – Mechanisms and Activation Energies

Janek Bernzen, Carmen Fuchs, Timo Jacob, Qian Ma, Tobias Meyer, Christian Jooss and Karl‐Michael Weitzel

Adv Materials Inter, 2024, 11
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HCO3⁻-mediated selective radical decomplexation and Ligand electro-reduction: Achieving Cu recovery and EDTA regeneration from industrial effluents via PEC-EC synergy

Xingyu Pan, Ligang Xia, Weifeng Yao, Qiang Wu, Yulin Min and Qunjie Xu

Journal of Hazardous Materials, 2025, 500, 140443
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Multivalent metal perovskite YbCoO3 as a novel proton-conducting electrolyte for solid oxide fuel cells

Jiajun Linghu, Mehwish Khalid Butt, Peng Feng, Ke Yang, Fei Ye, Tong Yang, Junwei Che, Ming Yang and Zhipeng Li

Ceramics International, 2025, 51, 2922
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Oxygen exchange kinetics of BaFeO3– modified with Ce and/or Y: oxygen isotope exchange and pressure relaxation

A.V. Khodimchuk, D.M. Zakharov, E.V. Gordeev, I.V. Svishch, N.M. Porotnikova, A.D. Koryakov, A.M. Shalamova and A.Yu. Suntsov

Applied Surface Science, 2026, 717, 164823
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16O2 – 18O2 interface exchange study between gas phase and the BaFeO3– oxide

A.V. Khodimchuk, D.M. Zakharov, E.V. Gordeev and N.M. Porotnikova

Journal of Physics and Chemistry of Solids, 2025, 196, 112390
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Electronic structure, phase formation, and defect distribution in the Ba(Ce,Fe,Acc)O3-δ system

R. Merkle, M.F. Hoedl, A. Chesnokov, D. Gryaznov, E. Bucher, E.A. Kotomin, W. Sitte and J. Maier

Acta Materialia, 2025, 287, 120739
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Interface and grain boundary engineering toward better solid oxide cells

Yuexia Ji, Lihong Yao, Aruuhan Bayaguud, Nai Shi, Kai Lv, Yijun Zhong, Jiafeng Cao, Cuifang Wang and Zongping Shao

Joule, 2025, 9, 102138
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Flexibility of oxygen sublattice and hydrogen bond length predict proton mobility in ternary metal oxides

Heejung W. Chung, Pjotrs Žguns, Ju Li and Bilge Yildiz

Matter, 2026, 9, 102568
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Critical Assessment of Electronic Structure Descriptors for Predicting Perovskite Catalytic Properties

Ryan Jacobs, Jian Liu, Harry Abernathy and Dane Morgan

ACS Appl. Energy Mater., 2024, 7, 3366
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Asymmetric Metal Oxide Electrodes for High‐Efficiency Evaporation‐Induced Energy Harvesting

Barsha Rani Bora, Bipasha Saikia, Mrityunjoy Dey and Kalyan Raidongia

Small, 2026
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Theoretical Study on Proton Migration on the CaMnO3 Surface

Benjamin Grimm and Thomas Bredow

J. Phys. Chem. C, 2024, 128, 12792
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Oxygen defect formation and migration in Sr2FeO4−δ : Insights from first principles DFT calculations with the PBE+U functional

Yuri A. Mastrikov, Denis Gryaznov, Andrew Chesnokov, Guntars Zvejnieks, Maksim Sokolov, Maija M. Kuklja, Rotraut Merkle and Eugene A. Kotomin

Phys. Rev. Materials, 2025, 9
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Thermodynamic Modeling of Point Defects in Triple Conducting Perovskite Ba0.95La0.05FeO3−δ with Incorporation of the Hydride Defect Formation Reaction for Solid Oxide Cells

Yueh-Lin Lee, Yuhua Duan, Dan C. Sorescu, Wissam A. Saidi, Dane Morgan, William K. Epting, Gregory Hackett and Harry W. Abernathy

J. Electrochem. Soc., 2024, 171, 124505
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Effect of Partial Fe-Substitution by Y and/or Ce in BaFeO3-Based Oxides on Oxygen Diffusion

Anna Khodimchuk, Irina Svishch, Egor Gordeev and Natalia Porotnikova

Crystals, 2025, 15, 998
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Unraveling the atomic-scale mechanisms of hydrogen defects behavior in yttria-stabilized tetragonal zirconia by first principles calculation

Baoshuai Liu, Juanli Zhao, Kaili Chu, Yuchen Liu, Yiran Li, Jingyang Wang and Bin Liu

Journal of Advanced Ceramics, 2025, 14, 9221099
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Protons in (Ga,Sc,In,Y)3+-doped BaFeO3 triple conductors — Site energies and migration barriers investigated by density functional theory calculations

A. Chesnokov, D. Gryaznov, E.A. Kotomin, J. Maier and R. Merkle

Solid State Ionics, 2025, 421, 116788
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Revisiting CaMnO3 as a Proton Conductor─A Theoretical Perspective

Benjamin Grimm and Thomas Bredow

J. Phys. Chem. C, 2024, 128, 5429
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Recent progress on multi-scale calculation of perovskite-based proton-conducting electrolytes for proton ceramic fuel cells

Weiwei Zhang, Yong Wang, Wolong Li, Yongcun Li, Lili Sun and Xuyun Zhang

Applied Energy, 2026, 402, 127019
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Synergistic Modulation of Oxygen Vacancies and Proton Hydration in Iron-Based Perovskites for Protonic Ceramic Fuel Cells

Qiuxia Feng, Liming Zhang, Xinjing Zhang, Zhongwei Cao, Hongbo Li, Peng Zhang, Xuefeng Zhu and Weishen Yang

ACS Sustainable Chem. Eng., 2026, 14, 3690
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