本文通过密度泛函理论（DFT）与原子中心密度矩阵传播（ADMP）方法，系统研究了酚类添加剂（酚、BHT、DBHQ）在不同溶剂（TEGDME、DMSO、CH3CN）中对LiO2?等关键中间体的稳定作用及其对溶液相Li2O2形成路径的促进机制，为设计高性能锂-氧（Li-O2）电池提供了理论依据。

The Nature Index 2025 Research Leaders — previously known as Annual Tables — reveal the leading institutions and countries/territories in the natural and health sciences, according to their output in ...

The lithium-air battery has great potential of achieving specific energy density comparable to that of gasoline. Several lithium oxide phases involved in the charge-discharge process greatly affect ...

Lithium-air batteries, known for their potential to store far more energy than conventional lithium-ion batteries, have struggled with practical challenges like short lifespans and theoretical ...

Lithium–air batteries have the potential to outstrip conventional lithium-ion batteries by storing significantly more energy at the same weight. However, their high-performance values have thus far ...

The Nature Index 2025 Research Leaders — previously known as Annual Tables — reveal the leading institutions and countries/territories in the natural and health sciences, according to their output in ...

虽然锂-空气电池能够提供高的能量密度，但在放电过程中形成的绝缘Li 2 O 2 阻碍了接下来的再充电过程。氧化还原介质(RM)能够促进Li 2 O 2 氧化。低充电电压下的快速动力学对于实际应用是十分必要的，但尚未实现。 Marcus理论解释RM动力学 为了研究Li-O 2 电池在 ...

图2. 放电形成不同形貌Li 2 O 2 的恒流控制过程及电位响应和in situ AFM图像。（a-d）圆盘状产物，（e-f）膜状产物，（i-l）花状产物。 由此，作者提出充电反应界面模型（图6），有效的反应界面取决于A、B两部分的反应速率之比，若v B /v A 趋近于1，则两个界面都是 ...

The high theoretical-energy density of lithium-oxygen (Li-O2) batteries and their relatively light weight have made them the Holy Grail of rechargeable battery systems. But long-standing issues with ...

ABSTRACT: Among all the issues that restrict the application of Li-air battery, poor power performances of O2 cathode comes first. In this paper, we establish carbon ...