A-site doping of cobalt-free Ba1-xAxFeO3-δ (A=Ca, Sr) as cathode for proton-conducting ceramic cells

IF 8.3 2区工程技术 Q1 CHEMISTRY, PHYSICAL

International Journal of Hydrogen Energy Pub Date : 2024-08-14 DOI:10.1016/j.ijhydene.2024.08.194

Chenxiao Wang, Kui Liu, Yinghao Wu, Guangjun Zhang, Xuelian Li, Jiaxin Wu, Ruili Sun, Ting Chen, Lang Xu, Shaorong Wang

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Abstract

A-site doping with Ca²⁺, Sr²⁺ for the cobalt-free BaFeO_3-δ-based cathode materials for proton-conducting ceramic fuel cells (PCFCs) is studied. The composite Ba_0·8Ca_0·2FeO_3-δ (BCF0.2)-BaZr_0.1Ce_0·7Y_0.1Yb_0.1O_3-δ (BZCYYb) and Ba_0·8Sr_0·2FeO_3-δ (BSF0.2)-BZCYYb electrode show polarization resistance (R_p) of 0.156 Ω cm² and 0.308 Ω cm² at 700 °C, respectively. It is found that the Ca or Sr doping not only benefits oxygen vacancy formation and ion migration but also optimizes the surface oxygen reduction reaction (ORR) process. The density functional theory (DFT) calculations show that the Gibbs energies of *OOH and *OH intermediates are decreased, indicating an enhanced surface ORR. The PCFC with BCF0.2-BZCYYb composite cathode achieves the maximum power density of 299.75 mW cm⁻² at 700 °C and shows good stability at 650 °C for 65 h under a constant voltage of 0.75 V. These findings suggest that the BCF0.2-BZCYYb has the potential to serve as cobalt-free cathode materials for PCFCs.

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无钴 Ba1-xAxFeO3-δ（A=Ca、Sr）的 A 位掺杂作为质子传导陶瓷电池的阴极

研究了在质子传导陶瓷燃料电池（PCFC）的无钴 BaFeO3-δ 基阴极材料中掺入 Ca2+、Sr2+ 的 A 位掺杂。复合 Ba0-8Ca0-2FeO3-δ (BCF0.2)-BaZr0.1Ce0-7Y0.1Yb0.1O3-δ (BZCYYb) 和 Ba0-8Sr0-2FeO3-δ (BSF0.2)-BZCYb 电极在 700 °C 时的极化电阻 (Rp) 分别为 0.156 Ω cm2 和 0.308 Ω cm2。研究发现，掺杂 Ca 或 Sr 不仅有利于氧空位的形成和离子迁移，还能优化表面氧还原反应（ORR）过程。密度泛函理论（DFT）计算表明，*OOH 和 *OH 中间产物的吉布斯能降低，表明表面 ORR 得到了增强。采用 BCF0.2-BZCYYb 复合阴极的 PCFC 在 700 ℃ 时达到了 299.75 mW cm-2 的最大功率密度，并在 650 ℃、0.75 V 的恒定电压下保持了 65 h 的良好稳定性。

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来源期刊

International Journal of Hydrogen Energy 工程技术-环境科学

CiteScore

13.50

自引率

25.00%

发文量

3502

审稿时长

60 days

期刊介绍： The objective of the International Journal of Hydrogen Energy is to facilitate the exchange of new ideas, technological advancements, and research findings in the field of Hydrogen Energy among scientists and engineers worldwide. This journal showcases original research, both analytical and experimental, covering various aspects of Hydrogen Energy. These include production, storage, transmission, utilization, enabling technologies, environmental impact, economic considerations, and global perspectives on hydrogen and its carriers such as NH3, CH4, alcohols, etc. The utilization aspect encompasses various methods such as thermochemical (combustion), photochemical, electrochemical (fuel cells), and nuclear conversion of hydrogen, hydrogen isotopes, and hydrogen carriers into thermal, mechanical, and electrical energies. The applications of these energies can be found in transportation (including aerospace), industrial, commercial, and residential sectors.