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

Mixed Ionic–Electronic Conductor of Perovskite LixLayMO3−δ toward Carbon‐Free Cathode for... 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 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. This strategy enables the effective design of Li‐conducting MIEC and reversible Li–air batteries. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Advanced Energy Materials Wiley

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

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References (56)

Publisher
Wiley
Copyright
© 2020 Wiley‐VCH GmbH
ISSN
1614-6832
eISSN
1614-6840
DOI
10.1002/aenm.202001767
Publisher site
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Abstract

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 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. This strategy enables the effective design of Li‐conducting MIEC and reversible Li–air batteries.

Journal

Advanced Energy Materials – Wiley

Published: Oct 1, 2020

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