Pillared-layer framework MOFs are considered to be energetic for enhanced performance for anode materials because of rich space and channels for lithium insertion and extraction. We selected pillared-layer MOF, Co(BDC)TED_0.5, consisting of an aromatic organic ligand (Terephthalic acid: 1,4-H₂BDC) and pillar ligand (Triethylenediamine: TED), synthesized via facile hydrothermal approach and investigated as anode material for LIBs. The time-dependent reaction kinetics of this MOF were investigated to optimize MOF as anode material. The Co(BDC)TED_0.5@24h exhibits good rate capability (614 and 239 mAh g⁻¹ at 0.2 and 2.0 A g⁻¹, respectively) with excellent cyclic stability, which is up to 808.2 mAh g⁻¹ after 1000 charge/discharge cycles at 1.0 A g⁻¹ current density. Such an impressive lithium performance is mainly due to channels provided by a pillared-layer framework which not only provides the space for insertion/extraction of Li⁺ ions but also mitigates the volume expansion during the cycles. The electrochemical process of Co(BDC)TED_0.5@24h electrode is elucidated by in-depth series of ex-situ XRD, FTIR, and XPS studies at different charge/discharge states which anticipates the intercalation as working mechanism for Co(BDC)TED_0.5. The DFT calculation is also utilized to further confirm the potential binding sites responsible for electrochemical behavior of Co(BDC)TED_0.5 as anode materials for LIBs.

由于锂离子的插入和提取的空间和通道丰富，因此认为层状框架MOF具有增强阳极材料性能的作用。我们选择了柱状MOF，Co（BDC）TED _0.5，它由芳族有机配体（对苯二甲酸：1,4-H ₂ BDC）和柱状配体（三亚乙基二胺：TED）组成，通过方便的水热法合成并作为阳极进行研究LIB的材料。研究了该MOF随时间变化的反应动力学，以优化作为阳极材料的MOF。联合（BDC）TED _0.5 @ 24小时表现出良好的倍率性能（614和239毫安克^{- 1}在0.2和2.0 A克^{- 1}分别具有出色的循环稳定性，在1.0 A g ^{- 1的}电流密度下经过1000次充/放电循环后，其循环容量高达808.2 mAh g ^{- 1}。如此出色的锂性能主要归因于柱状层框架提供的通道，该层不仅为Li ⁺离子的插入/萃取提供了空间，而且还减轻了循环过程中的体积膨胀。Co（BDC）TED _0.5 @ 24h电极的电化学过程通过在不同充电/放电状态下进行的异位XRD，FTIR和XPS研究的深入系列进行了阐明，该研究预示了作为Co（BDC）TED的工作机理的嵌入_0.5。DFT计算还用于进一步确定潜在的结合位点，该位点负责作为LiBs阳极材料的Co（BDC）TED _0.5的电化学行为。