高熵合金储氢材料：核心效应、吸脱氢行为与应用展望

High-Entropy Alloy Hydrogen Storage Materials: Core Effects, Hydrogen Absorption/Desorption Behavior, and Application Prospects

摘要:

氢能作为一种重要能源，其发展受限于储氢技术的落后。传统储氢材料在储氢容量、吸放氢速度及结构稳定性方面仍有不足。近年来，高熵合金展现出极具前景的储氢性能，但其储氢行为复杂，亟需深入研究。本文探讨了高熵合金的四大核心效应（高熵效应、晶格畸变效应、缓慢扩散效应和鸡尾酒效应）与储氢性能的关联，重点综述储氢动力学与热力学行为，解析微观机制与性能调控策略，探索其潜在应用。研究结果表明：①高熵效应促进单相固溶体形成；晶格畸变效应扩大间隙空间，提升储氢容量；缓慢扩散效应增强材料稳定性；鸡尾酒效应提升综合性能；②JMAK、Chou等动力学模型系统解析材料吸脱氢、扩散及相变等关键步骤，揭示速率控制机制，量化活化能与扩散系数。③基于Van’t Hoff方程，计算吸/脱氢焓变与熵变，阐明储氢平衡行为。高熵合金兼具高容量、快动力学与长循环稳定性等优势，具备良好工程应用前景。最后，对高熵合金储氢材料的发展前景进行展望，助推该类材料的研发与应用。

Abstract:

As a critical clean energy, hydrogen energy development is restricted by backward hydrogen storage technologies. Traditional hydrogen storage materials still suffer from deficiencies in hydrogen storage capacity, hydrogen absorption/desorption rate and structural stability. In recent years, high-entropy alloys (HEAs) have demonstrated promising hydrogen storage performance, yet their hydrogen storage behavior is complex and requires in-depth investigation. This paper discusses the correlation between the four core effects of HEAs (high-entropy effect, lattice distortion effect, sluggish diffusion effect and cocktail effect) and hydrogen storage performance, focuses onreviewing hydrogen storage kinetics and thermodynamics, analyzes microscopic mechanisms and performance regulation strategies, and explores their potential applications. The results show that: ① The high-entropy effect promotes the formation of single-phase solid solutions; the lattice distortion effect expands interstitial space and enhances hydrogen storage capacity; the sluggish diffusion effect improves material stability; the cocktail effect optimizes comprehensive performance. ② Kinetic models such as JMAK and Chou systematically analyze key processes including hydrogen absorption/desorption, diffusion and phase transformation, reveal rate-controlling mechanisms, and quantify activation energy and diffusion coefficient. ③ Based on the Van''t Hoff equation, the enthalpy and entropy changes of hydrogen absorption/desorption are calculated to clarify hydrogen storage equilibrium behavior. With the advantages of high capacity, fast kinetics and long cycle stability, HEAs exhibit good prospects for engineering applications. Future research should focus on composition design, synthesis process improvement and theoretical model construction to promote the research and application of such materials.