论文标题

用于高性能阳极的分层SNO纳米颗粒的溶剂工程合成

Solvent Engineered Synthesis of Layered SnO Nanoparticles for High-Performance Anodes

论文作者

Jaśkaniec, Sonia, Kavanagh, Seán R., Coelho, Joao, Ryan, Seán, Hobbsb, Christopher, Walsh, Aron, Scanlon, David O., Nicolosi, Valeria

论文摘要

电池是电化学能源存储中最丰富的形式。锂和钠离子电池占电池市场的很大一部分,但是对于这些技术,仍需要发现和优化高性能的电化学材料。最近,TIN(II)氧化物(SNO)已成为高度倾向的电池电极。在这项工作中,我们提出了一种轻松的合成方法,可以生产SNO纳米颗粒,其大小和形状可以通过改变溶剂性质来量身定制。我们研究了湿化学合成条件与产生的分层纳米颗粒形态之间的复杂关系。此外,采用了高级电子结构理论,包括考虑范德华力的分散校正,以增强我们对基本化学机制的理解。确定电子真空对齐和表面能,从而预测热力学偏爱的晶体形状(WULFF结构)和地表加权工作功能。最后,将合成的纳米材料作为锂离子电池阳极进行了测试,证明了从特定合成条件获得的形态学的电化学性能显着增强。

Batteries are the most abundant form of electrochemical energy storage. Lithium and sodium ion batteries account for a significant portion of the battery market, but high-performance electrochemically active materials still need to be discovered and optimized for these technologies. Recently, tin(II) oxide (SnO) has emerged as a highly-promising battery electrode. In this work, we present a facile synthesis method to produce SnO nanoparticles whose size and shape can be tailored by changing the solvent nature. We study the complex relationship between wet chemistry synthesis conditions and resulting layered nanoparticle morphology. Furthermore, high-level electronic structure theory, including dispersion corrections to account for van der Waals forces, are employed to enhance our understanding of the underlying chemical mechanisms. The electronic vacuum alignment and surface energies are determined, allowing the prediction of the thermodynamically-favoured crystal shape (Wulff construction) and surface-weighted work function. Finally, the synthesized nanomaterials were tested as Li-ion battery anodes, demonstrating significantly enhanced electrochemical performance for morphologies obtained from specific synthesis conditions.

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