@article{28,
  author = {Guobin Wen and Sarish Rehman and Tom Tranter and Debasis Ghosh and Zhongwei Chen and Jeff Gostick and Michael Pope},
  title = {Insights into Multiphase Reactions during Self-Discharge of Li-S Batteries},
  abstract = {<p>Lithium-sulfur (Li-S) batteries are promising next-generation rechargeable energy storage systems due to their high energy density and use of abundant and inexpensive materials. However, rapid self-discharge and poor cycling stability due to the solubility of intermediate polysulfide conversion products have slowed their commercialization. Herein, we provide a detailed account of the multiphasic reactions occurring during the self-discharge of a Li-S battery held at various depth of discharge (DOD) through both simulation and experiment. For the first time, self-discharge of a full Li-S battery is simulated using a 1D model to describe reactions at both the anode and cathode. The model accurately describes experimentally derived results obtained over the longest durations of self-discharge studied to date (140 h). This validated model was used to follow the reversible and irreversible capacity loss caused by shuttling and precipitation of insoluble Li<sub>2</sub>S<sub>2</sub>&nbsp;and Li<sub>2</sub>S as a function of DOD. While the most rapid self-discharge is observed at low DOD, this also leads to the smallest irreversible loss. The results suggest that resting a Li-S battery near 2.1 V minimizes both reversible and irreversible losses.</p>
},
  year = {2020},
  journal = {Chemistry of Materials},
  volume = {32},
  pages = {4518-4526},
  url = {https://doi.org/10.1021/acs.chemmater.0c00235},
}