Coduri Mauro, Checchia Stefano, Longhi Mariangela, Ceresoli Davide, Scavini Marco
ESRF - The European Synchrotron, Grenoble, France.
Dipartimento di Chimica, Università degli Studi di Milano, Milan, Italy.
Front Chem. 2018 Oct 31;6:526. doi: 10.3389/fchem.2018.00526. eCollection 2018.
The need for high efficiency energy production, conversion, storage and transport is serving as a robust guide for the development of new materials. Materials with physical-chemical properties matching specific functions in devices are produced by suitably tuning the crystallographic- defect- and micro-structure of the involved phases. In this review, we discuss the case of Rare Earth doped Ceria. Due to their high oxygen diffusion coefficient at temperatures higher than ~500°C, they are very promising materials for several applications such as electrolytes for Solid Oxide Fuel and Electrolytic Cells (SOFC and SOEC, respectively). Defects are integral part of the conduction process, hence of the final application. As the fluorite structure of ceria is capable of accommodating a high concentration of lattice defects, the characterization and comprehension of such complex and highly defective materials involve expertise spanning from computational chemistry, physical chemistry, catalysis, electrochemistry, microscopy, spectroscopy, and crystallography. Results coming from different experimental and computational techniques will be reviewed, showing that structure determination (at different scale length) plays a pivotal role bridging theoretical calculation and physical properties of these complex materials.
高效能源生产、转换、存储和运输的需求正有力地引导着新材料的开发。通过适当调整相关相的晶体结构、缺陷和微观结构,可制造出具有与器件中特定功能相匹配的物理化学性质的材料。在本综述中,我们讨论稀土掺杂二氧化铈的情况。由于它们在高于约500°C的温度下具有高氧扩散系数,因此对于诸如固体氧化物燃料电池和电解池(分别为SOFC和SOEC)的电解质等多种应用而言,是非常有前景的材料。缺陷是传导过程不可或缺的一部分,因此也是最终应用的一部分。由于二氧化铈的萤石结构能够容纳高浓度的晶格缺陷,对这种复杂且高度缺陷的材料进行表征和理解需要涵盖计算化学、物理化学、催化、电化学、显微镜学、光谱学和晶体学等多方面的专业知识。将对来自不同实验和计算技术的结果进行综述,表明结构测定(在不同尺度长度下)在连接这些复杂材料的理论计算和物理性质方面起着关键作用。