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Jung, Yoon Seok
Electrochemical Solid-State Energy Storage Lab
Research Interests
  • Batteries, All-solid-state batteries, solid electrolytes, electrodes, atomic layer deposition,energy storage devices

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Implications of the formation of small polarons in Li2O2 for Li-air batteries

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Title
Implications of the formation of small polarons in Li2O2 for Li-air batteries
Author
Kang, JoongooJung, Yoon SeokWei, Su-HuaiDillon, Anne C.
Issue Date
2012-01
Publisher
AMER PHYSICAL SOC
Citation
PHYSICAL REVIEW B, v.85, no.3, pp.1 - 5
Abstract
Lithium-air batteries (LABs) are an intriguing next-generation technology due to their high theoretical energy density of similar to 11 kWh/kg. However, LABs are hindered by both poor rate capability and significant polarization in cell voltage, primarily due to the formation of Li2O2 in the air cathode. Here, by employing hybrid density functional theory, we show that the formation of small polarons in Li2O2 limits electron transport. Consequently, the low electron mobility mu = 10(-10)-10(-9) cm(2)/Vs contributes to both the poor rate capability and the polarization that limit the LAB power and energy densities. The self-trapping of electrons in the small polarons arises from the molecular nature of the conduction band states of Li2O2 and the strong spin polarization of the O 2p state. Our understanding of the polaronic electron transport in Li2O2 suggests that designing alternative carrier conduction paths for the cathode reaction could significantly improve the performance of LABs at high current densities.
URI
https://scholarworks.unist.ac.kr/handle/201301/2734
URL
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84856450269
DOI
10.1103/PhysRevB.85.035210
ISSN
2469-9950
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ECHE_Journal Papers
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