Xunlu Wang, Huashuai Hu, Minghui Yang, J. Paul Attfield
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引用次数: 0
摘要
开发高效的基于地球丰度元素的析氢反应电催化剂是推进可持续能源技术的关键。然而,现有催化剂的氢吸附吉布斯自由能不理想(ΔGH*),导致催化性能明显低于铂基催化剂。在本研究中,采用一种新的电负性调制策略来提高催化活性。受d带中心(Ed)理论的启发,在催化剂体系中引入Zn和Mg来调节电子结构。电负性差异诱导了强的局域电子相互作用,有效地调整了Ni活性位点的d波段中心,优化了ΔGH*。结果表明,(NiZnMg)MoN催化剂表现出优异的HER性能,在300 mA cm−2下过电位仅为138 mV,超过了商用Pt/C催化剂。该研究为设计基于d波段调谐和电负性工程的高效掺杂电催化剂提供了有价值的见解。这些发现为克服HER电催化的性能限制和加速碱性氢生产在可持续能源系统中的实际应用提供了一个有希望的策略。
(NiZnMg)MoN with optimized d-band center enables industrial-level hydrogen production
Developing efficient hydrogen evolution reaction (HER) electrocatalysts based on earth-abundant elements is critical for advancing sustainable energy technologies. However, existing catalysts suffer from suboptimal Gibbs free energy for hydrogen adsorption (ΔGH*), resulting in significantly lower catalytic performance compared to platinum-based catalysts. In this study, a novel electronegativity modulation strategy was applied to enhance catalytic activity. Inspired by the d-band center (Ed) theory, Zn and Mg were introduced into the catalyst system to regulate the electronic structure. The electronegativity difference induced strong local electronic interactions, which effectively tuned the d-band center of Ni active sites and optimized ΔGH*. As a result, the (NiZnMg)MoN catalyst exhibited outstanding HER performance with an overpotential of only 138 mV at 300 mA cm−2, surpassing commercial Pt/C catalysts. This study provides valuable insights into designing efficient doped electrocatalysts based on d-band tuning and electronegativity engineering. The findings offer a promising strategy to overcome performance limitations in HER electrocatalysis and accelerate the practical application of alkaline hydrogen production in sustainable energy systems.
期刊介绍:
Science China Materials (SCM) is a globally peer-reviewed journal that covers all facets of materials science. It is supervised by the Chinese Academy of Sciences and co-sponsored by the Chinese Academy of Sciences and the National Natural Science Foundation of China. The journal is jointly published monthly in both printed and electronic forms by Science China Press and Springer. The aim of SCM is to encourage communication of high-quality, innovative research results at the cutting-edge interface of materials science with chemistry, physics, biology, and engineering. It focuses on breakthroughs from around the world and aims to become a world-leading academic journal for materials science.