Publications by authors named "Shuo-Feng Chiu"
Article Synopsis
- Concentrated electrolyte solutions are gaining attention for their improved oxidative stability and increased availability of lithium ions, particularly lithium bis(fluorosulfonyl)imide (LiFSI) salts, though these are costly and have limitations with high-potential cathodes.
- The study introduces a locally concentrated electrolyte made from 2 M LiPF dissolved in a mix of ethylene carbonate and diethyl carbonate, showing extended cycling stability and exceptional performance with nearly 98% efficiency over extended periods.
- The success of this new electrolyte is largely due to fluoroethylene carbonate (FEC), which enhances ionic conductivity and helps create a stable interface, outperforming traditional carbonate-based electrolytes in lithium-metal battery applications.
This paper presents a coarse-grained molecular simulation for fullerenes based on a multipolar expansion method developed previously. The method is enabled by the construction of transferable united atoms potentials that approximate the full atomistic intermolecular interactions, as obtained from ab initio electronic structure calculations supplemented by empirical force fields and experimental data, or any combination of the above. The resultant series contains controllable moment tensors that allow to estimate the errors, and approaches the all-atom intermolecular potential as the expansion order increases.
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