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Mixed Ionic–Electronic Conductor of Perovskite LixLayMO3-δ toward Carbon-Free Cathode for Reversible Lithium–Air Batteries

Journal Article · · Advanced Energy Materials
 [1];  [1];  [1];  [2];  [1];  [3];  [4];  [1];  [5]
  1. Samsung Electronics, Suwon (South Korea)
  2. Brookhaven National Lab. (BNL), Upton, NY (United States)
  3. Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)
  4. Samsung Research America, Burlington, MA (United States)
  5. Samsung Research America, Burlington, MA (United States); Ulsan National Institute of Science and Technology (UNIST) (South Korea)
+ Show Author Affiliations
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. In our study, 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 LixLayMO3 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 Li0.34La0.55MnO3-δ experimentally prove to have high electronic (2.04 × 10-3 S cm-1) and Li-ion (8.53 × 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. Finally, this strategy enables the effective design of Li-conducting MIEC and reversible Li–air batteries.
Research Organization:
Brookhaven National Laboratory (BNL), Upton, NY (United States)
Sponsoring Organization:
Korea Institute of Science and Technology Information; USDOE Office of Energy Efficiency and Renewable Energy (EERE), Transportation Office. Vehicle Technologies Office
Grant/Contract Number:
SC0012704
OSTI ID:
1647565
Alternate ID(s):
OSTI ID: 1646675
OSTI ID: 23098870
Report Number(s):
BNL--216257-2020-JAAM
Journal Information:
Advanced Energy Materials, Journal Name: Advanced Energy Materials Journal Issue: 38 Vol. 10; ISSN 1614-6832
Publisher:
WileyCopyright Statement
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
lithium diffusion barriers
lithium-air batteries
mixed ionic-electronic conductors
perovskites