High-Temperature Mechanical-Conductive Behaviors of Proton-Conducting Ceramic Electrolytes in Solid Oxide Fuel Cells

被引:0
|
作者
Kang, Shimeng [1 ]
Yao, Penghui [2 ]
Pan, Zehua [1 ]
Jing, Yuhang [3 ]
Liu, Siyu [4 ]
Zhou, Yexin [1 ]
Wang, Jingyi [1 ]
Gao, Yan [1 ]
Sun, Yi [3 ]
Li, Yongdan [2 ]
Zhong, Zheng [1 ]
机构
[1] Harbin Inst Technol, Sch Sci, Shenzhen 518055, Peoples R China
[2] Aalto Univ, Dept Chem & Met Engn, Kemistintie 1, FI-00076 Aalto, Finland
[3] Harbin Inst Technol, Dept Astronaut Sci & Mech, Harbin 150001, Peoples R China
[4] Shenzhen Acad Metrol & Qual Inspect, Shenzhen 518055, Peoples R China
基金
中国国家自然科学基金;
关键词
proton-conducting ceramics; proton diffusion; strain effect; elastic property; molecular dynamics; ELASTIC PROPERTIES; CREEP STRENGTH; STRESS; CATHODE; BAZRO3; SOFC; ION;
D O I
10.3390/ma17194689
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Proton-conducting solid oxide fuel cells (P-SOFCs) are widely studied for their lower working temperatures than oxygen-ion-conducting SOFCs (O-SOFCs). Due to the elevated preparation and operation temperatures varying from 500 degrees C to 1500 degrees C, high mechanical stresses can be developed in the electrolytes of SOFCs. The stresses will in turn impact the electrical conductivities, which is often omitted in current studies. In this work, the mechanical-conductive behaviors of Y-doped BaZrO3 (BZY) electrolytes for P-SOFCs under high temperatures are studied through molecular dynamics modeling. The Young's moduli of BZY in fully hydrated and non-hydrated states are calculated with different Y-doping concentrations and at different temperatures. It is shown that Y doping, oxygen vacancies, and protonic point defects all lead to a decrease in the Young's moduli of BZY at 773 K. The variations in the conductivities of BZY are then investigated by calculating the diffusion rates of protons in BZY at different triaxial, biaxial, and uniaxial strains from 673 K to 873 K. In all cases, the diffusion rate present a trend of first increasing and then decreasing from compression state to tension state. The variations in elementary affecting factors of proton diffusion, including hydroxide rotation, proton transfer, proton trapping, and proton distribution, are then analyzed in detail under different strains. It is concluded that the influences of strains on these factors collectively determine the changes in proton conductivity.
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页数:14
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