作为固体氧化物燃料电池阴极的最佳双金属合SrCoO3-δ的计算设计和实验验证
Xin Mao1, Zhiheng Li2,3, Mengran Li2
1School of Chemistry and Physics and Centre for Materials Science, Queensland University of Technology, Gardens Point Campus, Brisbane, 4001, Australia.
Journal of the American Chemical Society
|June 18, 2021
概括
我们通过使用半径和电子阴性描述器平衡氧空位和迁移来优化固体氧化物燃料电池 (SOFC). 这导致了具有显著降低电阻的新型联合合材料,提高了SOFC阴极性能.
科学领域:
- 材料科学
- 电化学
- 能量储存
背景情况:
- 基于合金的矿 (SrCoO3-δ) 是下一代固体氧化物燃料电池 (SOFC) 的有希望的阴极材料.
- 优化氧空位形成和迁移对于增强它们的催化活性和离子导电性至关重要.
- 目前的SOFC阴极材料在实现最佳性能和长期稳定性方面面临挑战.
研究的目的:
- 为SOFC阴极设计基于SrCoO3-δ的新型矿,具有增强的氧降解反应 (ORR) 活性.
- 为预测和优化SrCoO3-δ材料的性能建立活动描述器.
- 识别和合成高效的配合矿材料,以提高SOFC阴极性能.
主要方法:
- 使用半径和电子阴性作为活动描述器来指导SrCoO3-δ材料的设计.
- 使用了91个双金属合的SrCoO3-δ矿的计算选.
- 合成了SrCoO3-δ (SSTC),并通过实验验证了其性能.
主要成果:
- 确定了半径和电子阴性作为SrCoO3-δ矿中ORR活动的关键描述因素.
- 使用Nb或Ta的SrCoO3-δ显示出有希望的中等氧空位形成能量和离子迁移障碍.
- 在550°C时,SrCoO3-δ (SSTC) 具有超低的区域特异性阻力 (0.071 Ω·cm2),是基准材料的三分之一.
结论:
- 在SrCoO3-δ中通过合理描述器引导设计成功平衡氧空位形成和迁移.
- 配的SrCoO3-δ矿,特别是SSTC,代表了SOFC阴极技术的重大进步.
- 这些发现为开发具有最佳性能的高性能SOFC阴极提供了新的途径.
相关概念视频
02:54Molecular and Ionic Solids
16.4K
Crystalline solids are divided into four types: molecular, ionic, metallic, and covalent network based on the type of constituent units and their interparticle interactions.
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
Molecular Solids
Molecular crystalline solids, such as ice, sucrose (table sugar), and iodine, are solids that are composed of neutral molecules as their constituent units. These molecules are held together by weak intermolecular forces such as London dispersion forces, dipole-dipole interactions, or hydrogen bonds, which...
16.4K
03:12Batteries and Fuel Cells
24.1K
A battery is a galvanic cell that is used as a source of electrical power for specific applications. Modern batteries exist in a multitude of forms to accommodate various applications, from tiny button batteries such as those that power wristwatches to the very large batteries used to supply backup energy to municipal power grids. Some batteries are designed for single-use applications and cannot be recharged (primary cells), while others are based on conveniently reversible cell reactions that...
24.1K