Magnetism in Lithium-Oxygen Discharge Product
- Title
- Magnetism in Lithium-Oxygen Discharge Product
- Author
- 선양국
- Keywords
- batteries; density functional calculations; lithium peroxide; magnetic properties; superoxide
- Issue Date
- 2013-07
- Publisher
- WILEY-VCH
- Citation
- CHEMSUSCHEM, 권: 6, 호: 7, 페이지: 1196-1202
- Abstract
- Nonaqueous lithium-oxygen batteries have a much superior theoretical gravimetric energy density compared to conventional lithium-ion batteries, and thus could render long-range electric vehicles a reality. A molecular-level understanding of the reversible formation of lithium peroxide in these batteries, the properties of major/minor discharge products, and the stability of the nonaqueous electrolytes is required to achieve successful lithium-oxygen batteries. We demonstrate that the major discharge product formed in the lithium-oxygen cell, lithium peroxide, exhibits a magnetic moment. These results are based on dc-magnetization measurements and a lithium-oxygen cell containing an ether-based electrolyte. The results are unexpected because bulk lithium peroxide has a significant band gap. Density functional calculations predict that superoxide-type surface oxygen groups with unpaired electrons exist on stoichiometric lithium peroxide crystalline surfaces and on nanoparticle surfaces; these computational results are consistent with the magnetic measurement of the discharged lithium peroxide product as well as EPR measurements on commercial lithium peroxide. The presence of superoxide-type surface oxygen groups with spin can play a role in the reversible formation and decomposition of lithium peroxide as well as the reversible formation and decomposition of electrolyte molecules.
- URI
- http://onlinelibrary.wiley.com/doi/10.1002/cssc.201300223/abstracthttp://hdl.handle.net/20.500.11754/45567
- ISSN
- 1864-5631
- DOI
- 10.1002/cssc.201300223
- Appears in Collections:
- COLLEGE OF ENGINEERING[S](공과대학) > ENERGY ENGINEERING(에너지공학과) > Articles
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