Department of Mechanical Engineering-Engineering Mechanics, Michigan Technological University , 1400 Townsend Dive, Houghton, Michigan 49931, United States.
Nano Lett. 2015 Jan 14;15(1):610-5. doi: 10.1021/nl504087z. Epub 2014 Dec 22.
With the increased need for high-rate Li-ion batteries, it has become apparent that new electrode materials with enhanced Li-ion transport should be designed. Interfaces, such as twin boundaries (TBs), offer new opportunities to navigate the ionic transport within nanoscale materials. Here, we demonstrate the effects of TBs on the Li-ion transport properties in single crystalline SnO2 nanowires. It is shown that the TB-assisted lithiation pathways are remarkably different from the previously reported lithiation behavior in SnO2 nanowires without TBs. Our in situ transmission electron microscopy study combined with direct atomic-scale imaging of the initial lithiation stage of the TB-SnO2 nanowires prove that the lithium ions prefer to intercalate in the vicinity of the (101̅) TB, which acts as conduit for lithium-ion diffusion inside the nanowires. The density functional theory modeling shows that it is energetically preferred for lithium ions to accumulate near the TB compared to perfect neighboring lattice area. These findings may lead to the design of new electrode materials that incorporate TBs as efficient lithium pathways, and eventually, the development of next generation rechargeable batteries that surpass the rate performance of the current commercial Li-ion batteries.
随着对高倍率锂离子电池需求的增加,设计具有增强锂离子传输能力的新型电极材料变得尤为重要。界面(如孪晶界)为在纳米尺度材料内导航离子传输提供了新的机会。在这里,我们展示了孪晶界对单晶 SnO2 纳米线中锂离子传输特性的影响。结果表明,孪晶界辅助的锂化途径与之前报道的没有孪晶界的 SnO2 纳米线的锂化行为明显不同。我们的原位透射电子显微镜研究结合对孪晶 SnO2 纳米线初始锂化阶段的直接原子尺度成像证明,锂离子优先在(101̅)孪晶附近插层,而孪晶则充当了纳米线内锂离子扩散的通道。密度泛函理论建模表明,与完美相邻晶格区域相比,锂离子在孪晶附近聚集在能量上更有利。这些发现可能会导致设计新型电极材料,将孪晶作为有效的锂离子通道,最终开发出超越当前商业锂离子电池倍率性能的下一代可充电电池。