The recent success of Li-excess cation-disordered rocksalt (DRX) cathodes is providing an avenue to develop high energy density cathodes with abundant and low-cost metals, such as Mn, Fe and Ti. As they have high energy density, these cathode materials are currently the most viable strategy to address the resource issues of Co/Ni that will arise as conventional layered-type Li-ion cathodes are scaled towards multiple TWh of annual production. In DRX cathodes, facile Li transport relies mostly on the so-called "0-TM" 3D percolation channel, in which the intermediate tetrahedral sites are coordinated only by Li (no transition metals, TMs). The Li migration barrier along this "0-TM" channel is significantly lower compared to that of "1-TM" channel, where the intermediate tetrahedral sites are coordinated by 3 Li and 1 TM. The complexity of DRX cathodes lies in the fact that in most cases, they present various types of cation short-range order (SRO), which influences the frequency and connectivity of "0-TM" channels, thus controls the capacity and rate capability of DRX cathodes. Monte Carlo simulations have suggested that the presence of SRO in DRX cathodes generally leads to reduced Li percolation, when compared to that of a random arrangement of TM species.
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机译:锂过剩阳离子无序岩石(DRX)阴极最近的成功提供了一种途径,用于开发具有丰富和低成本金属的高能量密度阴极,例如Mn,Fe和Ti。由于它们具有高能量密度,这些阴极材料是最可行的策略,以解决CO / NI的资源问题,因为传统的层状锂离子阴极朝向年生产的多次升高。在DRX阴极中,Facile Li Transport主要依赖于所谓的“0-TM”3D渗透通道,其中中间四面体位点仅由Li(无过渡金属,TMS)协调。与“0-TM”通道的Li迁移屏障相比,与“1-TM”通道相比显着降低,其中中间四面向位点由3 Li和1 Tm协调。 DRX阴极的复杂性在于,在大多数情况下,它们呈现各种类型的阳离子短距秩序(SRO),这影响了“0-TM”通道的频率和连接,从而控制了容量和速率能力DRX阴极。 Monte Carlo模拟表明,与TM物种的随机排列相比,DRX阴极中的SRO在DRX阴极中的存在通常导致Li渗透。
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