Major Contributions

1. Demonstrated that PEO: LiDFOB exhibits superior capacity retention compared to other electrolyte systems, maintaining consistent 80% coulombic efficiency throughout cycling. This high performance correlates with minimal decomposition at the interface, suggesting that even limited salt decomposition can create an effective SEI layer.

2. Revealed through combined AIMD simulations and PES analysis that PEO-based electrolytes undergo decomposition to form polyethylene in the SEI layer via free-radical polymerization of ethylene, providing new insights into the SEI formation mechanism.

3. Established that ionic conductivity is not the decisive parameter for long-term performance in anode-free configurations, as evidenced by PEO:LiTFSI showing worse cycling performance despite higher conductivity compared to PEO:LiBOB and PEO:LiDFOB.


主要貢獻

1. 證實PEO:LiDFOB電解質系統展現出優異的容量保持率，在循環過程中持續維持80%的庫倫效率。這種高性能與界面最小程度的分解有關，表明即使有限的鹽分解也能形成有效的SEI層。

2. 透過結合AIMD模擬和PES分析，揭示PEO基電解質經由乙烯自由基聚合反應在SEI層中形成聚乙烯，為SEI形成機制提供新見解。

3. 確立在無陽極配置中，離子導電率並非長期性能的決定性參數，這點由PEO:LiTFSI雖具有較高導電率但循環性能卻不如PEO:LiBOB和PEO:LiDFOB的現象得到證實。