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Review Article | Open Access

Grain boundary engineering of metal-based nanomaterials for electrocatalysis

Jie Wang1,2,§( ), Yuecheng Xiong2,§, Hao Zeng1, Yishui Tang1, Weihao Zhong1, Yuan Shi1, Dan Wu1, Fumei Wang1, Jian Zhou2, Xichen Zhou3, Zhanxi Fan2 ( )
Key Laboratory of Fluid and Power Machinery of Ministry of Education, School of Materials Science and Engineering, Xihua University, Chengdu 610039, China
Department of Chemistry, City University of Hong Kong, Kowloon, Hong Kong 999077, China
Department of Chemistry, The University of Hong Kong, Hong Kong 999077, China

§ Jie Wang and Yuecheng Xiong contributed equally to this work.

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Abstract

Grain boundary (GB), as a type of two-dimensional defect in nanocrystals, has recently been identified as a kind of highly active site for various electrocatalytic reactions, such as hydrogen oxidation reaction (HOR), hydrogen evolution reaction (HER), nitrogen/nitrate reduction reaction (NRR/NO3RR), CO2 reduction reaction (CO2RR), oxygen evolution reaction (OER), oxygen reduction reaction (ORR), and alcohol oxidation reaction (methanol/ethanol oxidation reaction (MOR/EOR)). However, there is still a lack of comprehensive reviews examining how GB engineering affects catalytic activity. In this review, we summarize recent advances in GB-engineered metal-based nanomaterials, highlight the remarkable effects of GB, and discuss the structure–performance relationship of GB-rich nanocrystals in electrocatalytic reactions. First, we introduce the synthesis and characterization of GB-engineered nanocatalysts. Next, we thoroughly discuss the relationship between the structure and performance of GB-engineered nanocatalysts. Finally, we outline the challenges and opportunities in this rapidly evolving field, i.e., GB engineering of nanocatalysts.

Graphical Abstract

In this review, we summarize the recent advances in grain boundary (GB)-engineered metal-based nanomaterials, highlight the remarkable effects of GB, and discuss the structure–performance relationship of GB-rich nanocrystals in electrocatalytic reactions including hydrogen oxidation reaction, hydrogen evolution reaction, nitrogen/nitrate reduction reaction, carbon dioxide reduction reaction, oxygen evolution reaction, oxygen reduction reaction, and alcohol oxidation reaction.

Keywords

metal nanomaterialsgrain boundaryelectrocatalysiselectrosynthesisenergy conversion

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Nano Research
Volume 19 Issue 8,
August 2026
Article number: 94908534
DOI: 10.26599/NR.2026.94908534

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Cite this article:
Wang J, Xiong Y, Zeng H, et al. Grain boundary engineering of metal-based nanomaterials for electrocatalysis. Nano Research, 2026, 19(8): 94908534. https://doi.org/10.26599/NR.2026.94908534
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Received: 30 December 2025
Revised: 02 February 2026
Accepted: 03 February 2026
Published: 26 June 2026
© The Author(s) 2026. Published by Tsinghua University Press.

This is an open access article under the terms of the Creative Commons Attribution 4.0 International License (CC BY 4.0, https://creativecommons.org/licenses/by/4.0/).