@article{32425,
  author = {Zhengyan Lun and Bin Ouyang and Zijian Cai and Raphaële J Clément and Deok-Hwang Kwon and Jianping Huang and Joseph K Papp and Mahalingam Balasubramanian and Yaosen Tian and Bryan D McCloskey and Huiwen Ji and Haegyeom Kim and Daniil A Kitchaev and Gerbrand Ceder},
  title = {Design Principles for High-Capacity Mn-Based Cation-Disordered Rocksalt Cathodes},
  abstract = {<p><span>Mn-based Li-excess cation-disordered rocksalt (DRX) oxyfluorides are promising candidates for next-generation rechargeable battery cathodes owing to their large energy densities, the earth abundance, and low cost of Mn. In this work, we synthesized and electrochemically tested four representative compositions in the Li-Mn-O-F DRX chemical space with various Li and F content. While all compositions achieve higher than 200 mAh g</span><span>−1</span><span>&nbsp;initial capacity and good cyclability, we show that the Li-site distribution plays a more important role than the metal-redox capacity in determining the initial capacity, whereas the metal-redox capacity is more closely related to the cyclability of the materials. We apply these insights and generate a capacity map of the Li-Mn-O-F chemical space, Li</span><span><em>x</em></span><span>Mn</span><span>2-<em>x</em></span><span>O</span><span>2-<em>y</em></span><span>F</span><span><em>y</em></span><span>&nbsp;(1.167&nbsp;≤&nbsp;</span><em>x</em><span>&nbsp;≤ 1.333, 0&nbsp;≤&nbsp;</span><em>y</em><span>&nbsp;≤ 0.667), which predicts both accessible Li capacity and Mn-redox capacity. This map allows the design of compounds that balance high capacity with good cyclability.</span></p>},
  year = {2020},
  journal = {Chem},
  volume = {6},
  pages = {153 - 168},
  month = {01/2020},
  issn = {24519294},
  doi = {10.1016/j.chempr.2019.10.001},
  language = {eng},
}