Zhao Hui-Feng, Li Li, Zhang Tao, Yao Jun-Qing, Peng Xu, Peng Jing, Zhu Min, Xu Bei-Bei, Liu Xin-Wang, Yu Hai-Bin
Wuhan National High Magnetic Field Center & School of Physic, Huazhong University of Science and Technology, Wuhan 430074, China.
College of Chemistry and Chemical Engineering, Hubei University, Wuhan 430062, China.
Sci Adv. 2025 Jul 11;11(28):eadx6121. doi: 10.1126/sciadv.adx6121.
The challenge of high-entropy materials as functional materials generally lies in the vast compositional space, presenting seemingly endless elemental combinations for composition design. Using electrocatalytic oxygen evolution reactions (OERs) as a typical example, we introduce a "batch-alloy targeting" approach to quickly and effectively identify materials with high activity and thermodynamic stability. We fuse potentially active elements into a rough-guess alloy, creating a library of several distinct stable phases with varied compositions and structures. By assessing the extent of surface restructuring as an indicator of OER activity, we can target the optimal composition for subsequent materials design. This method successfully led to the discovery and development of a nanoscale phase-separated alloy exhibiting high activity and stability. Our methodology offers an efficient and rapid approach to exploring the compositional space of high-entropy materials. It strikes a balance between one-shot experiments and high-throughput preparation, achieving both efficiency and equilibrium.
高熵材料作为功能材料的挑战通常在于其广阔的成分空间,这为成分设计提供了看似无穷无尽的元素组合。以电催化析氧反应(OER)为例,我们引入了一种“批量合金靶向”方法,以快速有效地识别具有高活性和热力学稳定性的材料。我们将潜在的活性元素熔合到一个大致猜测的合金中,创建一个由几个具有不同成分和结构的独特稳定相组成的库。通过评估表面重构的程度作为OER活性的指标,我们可以针对后续材料设计确定最佳成分。该方法成功地发现并开发了一种具有高活性和稳定性的纳米级相分离合金。我们的方法提供了一种探索高熵材料成分空间的高效快速途径。它在一次性实验和高通量制备之间取得了平衡,实现了效率与平衡。