期刊
ADVANCED ENERGY MATERIALS
卷 10, 期 38, 页码 -出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/aenm.202001767
关键词
lithium diffusion barriers; lithium-air batteries; mixed ionic-electronic conductors; perovskites
类别
资金
- Assistant Secretary for Energy Efficiency and Renewable Energy, Vehicle Technology Office of the U.S. Department of Energy (DOE) through the Advanced Battery Materials Research (BMR) Program [DE-SC0012704]
- DOE Office of Science [DE-SC0012704]
- 2020 Research Fund of Ulsan National Institute of Science Technology [1.200092.01]
- Supercomputing Center/Korea Institute of Science and Technology Information [KSC-2018-CRE-0006]
Mixed ionic-electronic conductors (MIECs) can play a pivotal role in achieving high energies and power densities in rechargeable batteries owing to their ability to simultaneously conduct ions and electrons. Herein, a new strategy is proposed wherein late 3d transition metals (TMs) are substituted into a perovskite Li-ion conductor to transform it into a Li-containing MIEC. First-principles calculations show that perovskite Li(x)La(y)MO(3)with late 3d TMs have a low oxygen vacancy formation energy, implying high electron carrier concentrations corresponding to high electronic conductivity. The activation barriers for Li diffusion in LixLayMO3(M = Ti, Cr, Mn, Fe, and Co) are below 0.411 eV, resulting in high Li-ion conductivity. The designed perovskites of Li(0.34)La(0.55)MnO(3-)(delta)experimentally prove to have high electronic (2.04 x 10(-3)S cm(-1)) and Li-ion (8.53 x 10(-5)S cm(-1)) conductivities, and when applied in a carbon-free cathode of a Li-air cell, they deliver superior reversibility at 0.21 mAh cm(-2)over 100 charge/discharge cycles while avoiding the degradation associated with carbonaceous materials. This strategy enables the effective design of Li-conducting MIEC and reversible Li-air batteries.
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