期刊
NATURE COMMUNICATIONS
卷 10, 期 -, 页码 -出版社
NATURE PUBLISHING GROUP
DOI: 10.1038/s41467-019-09248-0
关键词
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资金
- Scientific Data and Computing Center, a component of the Computational Science Initiative, at Brookhaven National Laboratory [DE-SC0012704]
- Vehicle Technology Office of the U.S. Department of Energy through the Advanced Battery Materials Research (BMR) Program
- Battery500 Consortium [DE-SC0012704]
- U.S. Department of Energy's Office of Energy Efficiency and Renewable Energy (EERE) [DE-EE0008444]
- Ministry of Science and Technology of China [2016YFA0202500]
- National Natural Science Foundation of China [51822211, 51661135011]
- DOE Office of Science by Brookhaven National Laboratory [DE-SC0012704]
- DOE Office of Science User Facility [DE-AC02-05CH11231]
Despite the importance of studying the instability of delithiated cathode materials, it remains difficult to underpin the degradation mechanism of lithium-rich cathode materials due to the complication of combined chemical and structural evolutions. Herein, we use state-of-the-art electron microscopy tools, in conjunction with synchrotron X-ray techniques and first-principle calculations to study a 4d-element-containing compound, Li2Ru0.5Mn0.5O3. We find surprisingly, after cycling, ruthenium segregates out as metallic nanoclusters on the reconstructed surface. Our calculations show that the unexpected ruthenium metal segregation is due to its thermodynamic insolubility in the oxygen deprived surface. This insolubility can disrupt the reconstructed surface, which explains the formation of a porous structure in this material. This work reveals the importance of studying the thermodynamic stability of the reconstructed film on the cathode materials and offers a theoretical guidance for choosing manganese substituting elements in lithium-rich as well as stoichiometric layer-layer compounds for stabilizing the cathode surface.
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