Structure and composition of grain boundaries and their impact on functional properties of energy materials.

IF 5.7 3区材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Mrs Bulletin Pub Date : 2026-01-01 Epub Date: 2026-02-25 DOI:10.1557/s43577-025-01038-y

Oana Cojocaru-Mirédin, Elisa Wade, Yuan Yu, Jian Luo

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Abstract

This article explores the impact of grain boundary structures and compositions on the functional properties of various materials for photovoltaics, batteries, and other energy-related applications. Examples of correlative microscopy studies highlight the potential to discover structure-property relationships at grain boundaries, essential for the design of energy devices to achieve superior performance. A grain boundary transition that promotes grain growth and reduces the boundary resistance in solid electrolytes is given as an example. A key focus will be on transport phenomena at grain boundaries, including mass, thermal, electrical, and ionic transport mechanisms. These transport phenomena are directly correlated with the charge defects that lead to a buildup of electric charges and potential barriers at the grain boundaries. In addition, applied electric fields can also induce boundary transitions that can affect grain boundary transport and other properties. Finally, we demonstrate that these potential barrier heights can be tuned by modulating the chemical composition, structure, and carrier concentration of the grain boundaries.

Graphical abstract: Obtaining grain boundaries (GBs) with superior properties based on the correlation between the structure, composition, and electronic properties at the GB level.

Supplementary information: The online version contains supplementary material available at 10.1557/s43577-025-01038-y.

查看原文本刊更多论文

晶界的结构和组成及其对能源材料功能性能的影响。

本文探讨了晶界结构和组成对光伏、电池和其他能源相关应用中各种材料功能特性的影响。相关显微镜研究的例子强调了发现晶界结构-性能关系的潜力，这对于设计能量装置以实现卓越性能至关重要。给出了固体电解质中促进晶粒生长和降低边界电阻的晶界转变的例子。重点将放在晶界的输运现象上，包括质量、热、电和离子输运机制。这些输运现象与导致晶界电荷和势垒积聚的电荷缺陷直接相关。此外，外加电场还可以诱导边界跃迁，从而影响晶界输运和其他性质。最后，我们证明了这些势垒高度可以通过调节晶界的化学成分、结构和载流子浓度来调节。图形摘要：基于结构、成分和电子性能在晶界水平上的相关性，获得具有优越性能的晶界。补充信息：在线版本包含补充资料，下载地址为10.1557/s43577-025-01038-y。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Mrs Bulletin 工程技术-材料科学：综合

CiteScore

7.40

自引率

2.00%

发文量

193

审稿时长

4-8 weeks

期刊介绍： MRS Bulletin is one of the most widely recognized and highly respected publications in advanced materials research. Each month, the Bulletin provides a comprehensive overview of a specific materials theme, along with industry and policy developments, and MRS and materials-community news and events. Written by leading experts, the overview articles are useful references for specialists, but are also presented at a level understandable to a broad scientific audience.