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Silicon-Based Self-Assemblies for High Volumetric Capacity Li-Ion Batteries via Effective Stress Management

机译：基于硅的自组装，用于高容量容量锂离子电池通过有效应力管理

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摘要

Silicon nanoparticles (Si NPs) have been considered as promising anode materials for next-generation lithium-ion batteries, but the practical issues such as mechanical structure instability and low volumetric energy density limit their development. At present, the functional energy-storing architectures based on Si NPs building blocks have been proposed to solve the adverse effects of nanostructures, but designing ideal functional architectures with excellent electrochemical performance is still a significant challenge. This study shows that the effective stress evolution management is applied for self-assembled functional architectures via cross-scale simulation and the simulated stress evolution can be a guide to design a scalable self-assembled hierarchical Si@TiO2@C (SA-SiTC) based on core-shell Si@TiO(2)nanoscale building blocks. It is found that the carbon filler and TiO(2)layer can effectively reduce the risk of cracking during (de)lithiation, ensuring the stability of the mechanical structure of SA-SiTC. The SA-SiTC electrode shows long cycling stability (842.6 mAh g(-1)after 1000 cycles at 2 A g(-1)), high volumetric capacity (174 mAh cm(-3)), high initial Coulombic efficiency (80.9%), and stable solid-electrolyte interphase (SEI) layer. This work provides insight into the development of the structural stable Si-based anodes with long cycle life and high volumetric energy density for practical energy applications.
机译：硅纳米颗粒（Si NPS）被认为是下一代锂离子电池的有前途的阳极材料，但是机械结构不稳定等实际问题和低容量能量密度限制了它们的发育。目前，已经提出了基于Si NPS构建块的功能储存架构，以解决纳米结构的不利影响，但设计具有优异电化学性能的理想功能架构仍然是一个重大挑战。本研究表明，通过串级仿真应用有效应力演进管理，用于自组装功能架构，模拟应力进化可以是设计基于可伸缩的自组装分层SI @ TiO2 @ C（SA-SITC）的指南在核心外壳SI @ TiO（2）纳米级构建块。发现碳填料和TiO（2）层可以有效地降低（DE）锂化期间裂化的风险，确保SA-SITC的机械结构的稳定性。 SA-SITC电极显示出长循环稳定性（842.6mAhg（-1），在2Ag（-1）），高容量容量（174mAh（-3）），高初始库仑效率（80.9％） ），稳定的固体电解质相互作用（SEI）层。这项工作为具有长循环寿命和高容量能量密度的结构稳定的Si阳极的开发提供了深入的实用能量应用。

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