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Seo, Dong-Hwa
Computational Energy Materials Science Lab
Research Interests
  • 본 연구실에서는 제일원리 (first-principles) 전산모사 기법을 통해 이차전지용 전극 소재와 고체 전해질 소재에 대해 원자 단위에서 깊이 있게 이해하고 이를 바탕으로 신규 소재를 개발하고 기존 소재의 성능 향상시키는 연구를 진행하고 있습니다. 또한 인공지능 (artificial intelligence)과 기계학습 (Machine learning), 로봇공학 (robotics)을 조합하여 자동 합성/분석을 통한 재료 개발에 대한 연구를 진행하고 있습니다.

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A disordered rock-salt Li-excess cathode material with high capacity and substantial oxygen redox activity: Li1.25Nb0.25Mn0.5O2

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Title
A disordered rock-salt Li-excess cathode material with high capacity and substantial oxygen redox activity: Li1.25Nb0.25Mn0.5O2
Author
Wang, RuiLi, XinLiu, LeiLee, JinhyukSeo, Dong-HwaBo, Shou-HangUrban, AlexanderCeder, Gerbrand
Issue Date
2015-11
Publisher
ELSEVIER SCIENCE INC
Citation
ELECTROCHEMISTRY COMMUNICATIONS, v.60, pp.70 - 73
Abstract
A disordered rocksalt Li-excess cathode material, Li1.25Nb0.25Mn0.5O2, was synthesized and investigated. It shows a large initial discharge capacity of 287 mAh g(-1) in the first cycle, which is much higher than the theoretical capacity of 146 mAh g(-1) based on the Mn3+/Mn4+ redox reaction. In situ X-ray diffraction (XRD) demonstrates that the compound remains cation-disordered during the first cycle. Electron energy loss spectroscopy (EELS) suggests that Mn and O are likely to both be redox active, resulting in the large reversible capacity. Our results show that Li1.25Nb0.25Mn0.5O2 is a promising cathode material for high capacity Li-ion batteries and that reversible oxygen redox in the bulk may be a viable way forward to increase the energy density of lithium-ion batteries.
URI
https://scholarworks.unist.ac.kr/handle/201301/30527
URL
https://www.sciencedirect.com/science/article/pii/S1388248115002131?via%3Dihub
DOI
10.1016/j.elecom.2015.08.003
ISSN
1388-2481
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ECHE_Journal Papers
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