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锂-空气二次电池是当前能量密度最高的二次电池体系之一,高效阴极催化剂的创制构筑是构筑高性能锂-空气电池的关键技术之一.本文基于简便易行的全固相热解反应,设计构筑了一种具有纳米电缆结构的新型铁-碳纳米管电化学催化剂.第一性原理计算表明碳纳米管与其内部包覆的铁纳米棒之间的电荷迁移与协同分布效应可有效促进氧气在碳纳米管表面的化学吸附与转化.得益于此,基于其的锂-空气电池在限制比容量为600 mA h g~(-1)时,循环寿命可达270次,基于此催化剂与固态放电产物(Li_2O_2)总质量的电极比能量可达2120–2600W h kg~(-1).本研究为锂-空气二次电池用高性能阴极催化剂的开发提供了有效途径.
Lithium-air secondary batteries are currently one of the most energy-intensive secondary battery systems, and the creation of high-efficiency cathode catalysts is one of the key technologies in building high-performance lithium-air batteries.Based on the simple and easy all-solid-state pyrolysis Reaction, we designed a new type of iron-carbon nanotube electrochemical catalyst with nanowire structure.The first-principles calculations show that the charge transfer and coordination distribution between the carbon nanotubes and the iron-coated nanorods are effective Which promotes the chemisorption and conversion of oxygen on the surface of carbon nanotubes.Therefore, the lithium-air battery based on it has a cycle life up to 270 times at a specific capacity of 600 mA hg -1, and based on this catalyst (2120-2600W h kg -1) with the total mass of solid discharge product (Li 2 O 2) .The present study provides an effective way for the development of high performance cathode catalysts for lithium-air secondary batteries.