期刊
CHEMISTRY OF MATERIALS
卷 26, 期 14, 页码 4200-4206出版社
AMER CHEMICAL SOC
DOI: 10.1021/cm5014174
关键词
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资金
- MRSEC Program of the National Science Foundation [DMR-0819762]
- Assistant Secretary for Energy Efficiency and Renewable Energy, Office of Vehicle Technologies of the U.S. Department of Energy under the Batteries for Advanced Transportation Technologies (BATT) Program [DE-AC02-05CH11231]
- Extreme Science and Engineering Discovery Environment (XSEDE) [TG-DMR970008S]
- Department of Energy's Basic Energy Sciences program [EDCBEE]
- DOE [DE-AC02-05CH11231]
- Northeastern Center for Chemical Energy Storage, an Energy Frontier Research Center - U.S. DOE, BES [DE-SC0001294]
- Robert Bosch GmbH
- Umicore Specialty Oxides and Chemicals
The stability of the charged state of monoclinic LiMnBO3 has been analyzed to better understand its electrochemical cycling behavior in this work. First-principles calculations indicate that delithiated monoclinic Li1-xMnBO3 becomes unstable for x >= 0.625. Results obtained from ex-situ X-ray diffraction on charged electrodes and chemically oxidized powder confirm the phase decomposition of the LiMnBO3 phase when a significant amount of Li is extracted. Energy-dispersive X-ray spectroscopy and X-ray diffraction analysis also reveal Mn dissolution from the cycled LiMnBO3 cathodes and chemically delithiated LiMnBO3 specimen. Based on these results, we consider the cycling performance of monoclinic LiMnBO3 to be primarily limited by its charged state instability. To overcome this limitation, we partially substituted Mn with Mg to maintain structural integrity of the phase and reduce capacity fading over multiple cycles.
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