期刊
CHEM
卷 6, 期 1, 页码 153-168出版社
CELL PRESS
DOI: 10.1016/j.chempr.2019.10.001
关键词
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资金
- Umicore Specialty Oxides and Chemicals
- US Department of Energy (DOE) Vehicle Technologies Office [DEAC02-05CH11231]
- US DOE Office of Science and Office of Basic Energy Sciences [DE-AC02-05CH11231]
- UCSB MRSEC (National Science Foundation [NSF]) [DMR 1720256]
- US DOE [DE-AC02-06CH11357]
- DOE Office of Energy Efficiency and Renewable Energy
- NSF [ACI1053575, DGE-1106400]
- National Energy Research Scientific Computing Center
- DOE Office of Science [DE-AC02-05CH11231]
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(-1) 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, LixMn2-xO2-yFy (1.167 <= x <= 1.333, 0 <= y <= 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.
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