Abstract

Currently, the development of lithium–oxygen (air) battery became a hot topic. It is recognised that its specific energy will exceed that of traditional lithium-ion batteries by order of magnitude. The principal element of the lithium–oxygen battery, that is, the active layer of the cathode constitutes a layer of material with a complicated pore structure. During discharge, some electrochemical and chemical processes therein result in the accumulation of lithium peroxide that eventually has been used in the lithium–oxygen battery charging. This power source still suffers from disadvantages, indeed. In this work, computer simulation is used in the elucidating of the effects of the cathode active layer structure on the lithium–oxygen battery overall characteristics during its charging and discharging. A set of obstacles on the way to improvement of the lithium–oxygen battery overall characteristics has been revealed. The obstacles are shown being crucial, they cannot be overcome in terms of current practice of the designing of the lithium–oxygen battery cathode. Therefore, new approaches to the manufacturing of lithium–oxygen battery cathode have to be sought for.

中文翻译：

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锂氧电池正极活性层结构与运行机理的计算机模拟

摘要

当前，锂氧（空气）电池的发展成为热门话题。公认的是，它的比能将比传统的锂离子电池多一个数量级。锂氧电池的主要元素，即阴极的活性层构成具有复杂孔结构的材料层。在放电过程中，其中的一些电化学和化学过程导致过氧化锂的积累，最终将其用于锂氧电池的充电。实际上，该电源仍然具有缺点。在这项工作中，使用计算机模拟来阐明正极活性层结构在充电和放电期间对锂氧电池整体特性的影响。在改善锂氧电池整体特性的方法中，发现了一系列障碍。所显示的障碍是至关重要的，就目前锂氧电池正极设计的实践而言，这些障碍是无法克服的。因此，必须寻求制造锂氧电池正极的新方法。