锂化SnO-based负极材料的电子性质
Electronic Properties of Lithiated SnO-based Anode Materials
摘要：
在本文中，我们使用从头计算量子输运方法来研究电子电流流过锂化的氧化锡阳极在锂离子电池的潜在应用。通过研究一组具有不同锂浓度的锂化结构，揭示了LixSnO可以是良好的导体，其值与本体$β$ -Sn和Li相当。对电流分布的更深入了解表明，电子优选地遵循特定的轨迹，这提供了比其他人更优越的导电性能。这些通道已被确定，并在这里显示它们如何增强或恶化锂化阳极材料中的电流。
英文摘要：
In this paper we use an ab-initio quantum transport approach to study the electron current flowing through lithiated SnO anodes for potential applications in Li-ion batteries. By investigating a set of lithiated structures with varying lithium concentrations, it is revealed that LixSnO can be a good conductor, with values comparable to bulk $β$-Sn and Li. A deeper insight into the current distribution indicates that electrons preferably follow specific trajectories, which offer superior conducting properties than others. These channels have been identified and it is shown here how they can enhance or deteriorate the current flow in lithiated anode materials.
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