Unveiling the Potential of Metal Diborides for Electrocatalytic Water Splitting: A Comprehensive Review

IF 13 2区材料科学 Q1 MATERIALS SCIENCE, MULTIDISCIPLINARY

Energy & Environmental Materials Pub Date : 2025-01-10 DOI:10.1002/eem2.12873

Ebrahim Sadeghi, Sanaz Chamani, Naeimeh Sadat Peighambardoust, Umut Aydemir

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Abstract

Electrocatalytic water splitting (EWS) driven by renewable energy is vital for clean hydrogen (H₂) production and reducing reliance on fossil fuels. While IrO₂ and RuO₂ are the leading electrocatalysts for the oxygen evolution reaction (OER) and Pt for the hydrogen evolution reaction (HER) in acidic environments, the need for efficient, stable, and affordable materials persists. Recently, transition-metal borides (TMBs), particularly metal diborides (MDbs), have gained attention due to their unique layered crystal structures with multicentered boron bonds, offering remarkable physicochemical properties. Their nearly 2D structures boost electrochemical performance by offering high conductivity and a large active surface area, making them well-suited for advanced energy storage and conversion technologies. This review provides a comprehensive overview of the critical factors for water splitting, the crystal and electronic structures of MDbs, and their synthetic strategies. Furthermore, it examines the relationship between catalytic performance and intermediate adsorption as elucidated by first-principle calculations. The review also highlights the latest experimental advancements in MDb-based electrocatalysts and addresses the current challenges and future directions for their development.

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揭示金属二硼化物电催化分解水的潜力：综述

由可再生能源驱动的电催化水分解（EWS）对于清洁氢（H2）生产和减少对化石燃料的依赖至关重要。虽然IrO2和RuO2是酸性环境中析氧反应（OER）和析氢反应（HER）的主要电催化剂，但对高效、稳定和负担得起的材料的需求仍然存在。近年来，过渡金属硼化物（TMBs），特别是金属二硼化物（MDbs）因其独特的层状晶体结构和多中心硼键，具有显著的物理化学性质而受到人们的关注。它们的近二维结构通过提供高导电性和大的活性表面积来提高电化学性能，使其非常适合先进的能量存储和转换技术。本文综述了影响水裂解的关键因素、MDbs的晶体结构和电子结构及其合成策略。此外，它检查了催化性能和中间吸附之间的关系，阐明了第一性原理计算。综述了基于mdb的电催化剂的最新实验进展，并指出了当前面临的挑战和未来的发展方向。

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

Energy & Environmental Materials MATERIALS SCIENCE, MULTIDISCIPLINARY-

CiteScore

17.60

自引率

6.00%

发文量

期刊介绍： Energy & Environmental Materials (EEM) is an international journal published by Zhengzhou University in collaboration with John Wiley & Sons, Inc. The journal aims to publish high quality research related to materials for energy harvesting, conversion, storage, and transport, as well as for creating a cleaner environment. EEM welcomes research work of significant general interest that has a high impact on society-relevant technological advances. The scope of the journal is intentionally broad, recognizing the complexity of issues and challenges related to energy and environmental materials. Therefore, interdisciplinary work across basic science and engineering disciplines is particularly encouraged. The areas covered by the journal include, but are not limited to, materials and composites for photovoltaics and photoelectrochemistry, bioprocessing, batteries, fuel cells, supercapacitors, clean air, and devices with multifunctionality. The readership of the journal includes chemical, physical, biological, materials, and environmental scientists and engineers from academia, industry, and policy-making.