数据驱动设计的低铂载量铂铁钴镍锰镓纳米高熵合金在锌-空气电池中的高催化活性

IF 18.9 1区材料科学 Q1 CHEMISTRY, PHYSICAL

Energy Storage Materials Pub Date : 2024-09-01 DOI:10.1016/j.ensm.2024.103773

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引用次数: 0

摘要

开发低铂载量和高活性的氧气电催化剂对于促进燃料电池的大规模应用十分必要。通过数据驱动和密度泛函理论计算，采用液相还原和H2煅烧方法合成了铂铁钴镍锰镓纳米高熵合金（HEA），并将其负载在碳纳米管（CNT）上。由于高熵、电子调制和鸡尾酒效应，铂铁钴镍锰镓高熵合金催化剂在氧进化/还原反应（OER/ORR）中表现出很高的催化活性。PtFeCoNiMnGa/CNT 在 OER 反应中显示出 243 mV 的低过电位，在 ORR 反应中显示出 1.12 A mgPt-1 的质量活性（是 Pt/C 的 5.3 倍）。此外，PtFeCoNiMnGa/CNT 还显示出较高的耐久性，在长达 50 小时的时间内仍能保持 95% 的初始性能。此外，以 PtFeCoNiMnGa/CNT 作为阴极催化剂组装的锌-空气电池的开路电位为 1.52 V，能量密度为 130.6 mW cm-2，可稳定运行 120 小时而无明显衰减。

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Data-driven designed low Pt loading PtFeCoNiMnGa nano high entropy alloy with high catalytic activity for Zn-air batteries

Developing low Pt loading and high-activity oxygen electrocatalysts is necessary to promote large-scale fuel cell applications. By data-driven and density functional theory calculations, PtFeCoNiMnGa nano high entropy alloy (HEA) was synthesized through liquid-phase reduction and H₂ calcination method and loaded on carbon nano-tube (CNT). Due to high entropy, electronic modulation, and cocktail effects, PtFeCoNiMnGa HEA catalyst shows great catalytic activity in oxygen evolution/reduction reaction (OER/ORR). The PtFeCoNiMnGa/CNT showed a low overpotential of 243 mV for OER, and for ORR a mass activity of 1.12 A mg_Pt⁻¹ (5.3 times than Pt/C). Moreover, the PtFeCoNiMnGa/CNT showed high durability by maintaining 95 % of its initial performance for up to 50 h. In addition, the zinc-air battery assembled with PtFeCoNiMnGa/CNT as the cathode catalyst had an open-circuit potential of 1.52 V and an energy density of 130.6 mW cm⁻², and was able to operate stably for 120 h without any significant degradation.

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来源期刊

Energy Storage Materials Materials Science-General Materials Science

CiteScore

33.00

自引率

5.90%

发文量

652

审稿时长

27 days

期刊介绍： Energy Storage Materials is a global interdisciplinary journal dedicated to sharing scientific and technological advancements in materials and devices for advanced energy storage and related energy conversion, such as in metal-O2 batteries. The journal features comprehensive research articles, including full papers and short communications, as well as authoritative feature articles and reviews by leading experts in the field. Energy Storage Materials covers a wide range of topics, including the synthesis, fabrication, structure, properties, performance, and technological applications of energy storage materials. Additionally, the journal explores strategies, policies, and developments in the field of energy storage materials and devices for sustainable energy. Published papers are selected based on their scientific and technological significance, their ability to provide valuable new knowledge, and their relevance to the international research community.