论文标题
发现电化学诱导的晶界过渡
Discovery of Electrochemically Induced Grain Boundary Transitions
论文作者
论文摘要
用于创新材料处理和电化学转化的电场和电流通常会以意想不到的方式改变微观结构。但是,对基本机制知之甚少。本研究使用ZnO-BI2O3作为模型系统,发现了如何通过电化学诱导的晶界(GB)过渡来改变微观结构演化。通过结合像差校正的电子显微镜,光致发光光谱,第一原理计算,可推广的热力学模型以及从头开始的分子动力学,这项研究表明,电化学还原性还会导致GB障碍及顺序的转移,显着增加了GB扩散率和流动性。因此,发生突然增强或异常的谷物生长。这些发现提高了我们对GB肤色(相似)过渡和电场对微结构稳定性和进化的影响的基本知识,并具有广泛的科学和技术影响。也可以设想一种定制GB结构和性能以及微结构的新方法。
Electric fields and currents, which are used in innovative materials processing and electrochemical energy conversion, can often alter microstructures in unexpected ways. However, little is known about the underlying mechanisms. Using ZnO-Bi2O3 as a model system, this study uncovers how an applied electric current can change the microstructural evolution through an electrochemically induced grain boundary (GB) transition. By combining aberration-corrected electron microscopy, photoluminescence spectroscopy, first-principles calculations, a generalizable thermodynamic model, and ab initio molecular dynamics, this study reveals that electrochemical reduction can cause a GB disorder-to-order transition to markedly increase GB diffusivities and mobilities. Consequently, abruptly enhanced or abnormal grain growth takes place. These findings advance our fundamental knowledge of GB complexion (phase-like) transitions and electric field effects on microstructural stability and evolution, with broad scientific and technological impacts. A new method to tailor the GB structures and properties, as well as the microstructures, electrochemically can also be envisioned.