电负性
吸附
催化作用
活动站点
熵(时间箭头)
离解(化学)
化学物理
高熵合金
缩放比例
化学
材料科学
纳米技术
合金
计算化学
化学工程
热力学
物理化学
物理
有机化学
几何学
数学
工程类
作者
Jiace Hao,Zechao Zhuang,Kecheng Cao,Guohua Gao,Chan Wang,Feili Lai,Shuanglong Lu,Piming Ma,Weifu Dong,Tianxi Liu,Mingliang Du
标识
DOI:10.1038/s41467-022-30379-4
摘要
High-entropy alloys have received considerable attention in the field of catalysis due to their exceptional properties. However, few studies hitherto focus on the origin of their outstanding performance and the accurate identification of active centers. Herein, we report a conceptual and experimental approach to overcome the limitations of single-element catalysts by designing a FeCoNiXRu (X: Cu, Cr, and Mn) High-entropy alloys system with various active sites that have different adsorption capacities for multiple intermediates. The electronegativity differences between mixed elements in HEA induce significant charge redistribution and create highly active Co and Ru sites with optimized energy barriers for simultaneously stabilizing OH* and H* intermediates, which greatly enhances the efficiency of water dissociation in alkaline conditions. This work provides an in-depth understanding of the interactions between specific active sites and intermediates, which opens up a fascinating direction for breaking scaling relation issues for multistep reactions.
科研通智能强力驱动
Strongly Powered by AbleSci AI