Xiaoxiao Zou, Xinyu Zhao, Bohuai Pang, Hang Ma, Kun Zeng, Songsong Zhi, Hong Guo
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引用次数: 0
摘要
了解元素氧亲和力的影响对于理解高熵合金(HEAs)的完整特性至关重要。然而,人们对 HEAs 的含氧结构和稳定性的起源仍然知之甚少,这主要是由于 HEAs 成分多样,阻碍了合成和分析。在此,掺杂 O 的 HEAs(HEA-O)在电解水和锌-空气电池中表现出了卓越的性能和稳定性,当锌消耗结束后,HEA-O 可在稳定超过 1600 小时后重新组装。实验和 DFT 模拟证明,具有强氧亲和力的 Cr 可以在 HEAs 体系中引入更多的氧。因此,间隙氧起到了电子缓冲的作用,使其他金属元素的结合能上升到更高的水平。此外,氧掺杂降低了 d 带中心,促进了电化学活性,并增加了金属活性位点的空位形成能,从而提高了稳定性。这项研究为设计和理解掺杂间隙氧的 HEA 提供了重要启示。
Interstitial Oxygen Acts as Electronic Buffer Stabilizing High-Entropy Alloys for Trifunctional Electrocatalysis.
Understanding the effect of elements' oxygen affinity is essential for comprehending high-entropy alloys' (HEAs) complete properties. However, the origin of HEAs' oxygen-containing structure and stability remains poorly understood, primarily due to their diverse components, hindering synthesis and analysis. Herein, the O-doping HEAs (HEA-O) have demonstrated outstanding performance and stability in electrolyzed water and Zinc-air batteries which can be reassembled after being stable for more than 1600 h when the zinc consumption is over. The experiment and DFT simulation demonstrate that Cr with strong oxygen affinity can introduce more oxygen into the system of HEAs. Consequently, interstitial oxygens act as electronic buffers making the binding energy of other metal elements move to a higher level. Additionally, O-doping lowers the d-band center promoting electrochemical activity and increasing vacancy formation energies of metal active sites leading to super stability. The study provides significant insights into the design and comprehension of interstitial oxygen-doped HEAs.
期刊介绍:
Advanced Materials, one of the world's most prestigious journals and the foundation of the Advanced portfolio, is the home of choice for best-in-class materials science for more than 30 years. Following this fast-growing and interdisciplinary field, we are considering and publishing the most important discoveries on any and all materials from materials scientists, chemists, physicists, engineers as well as health and life scientists and bringing you the latest results and trends in modern materials-related research every week.