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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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The structural and chemical origin of the oxygen redox activity in layered and cation-disordered Li-excess cathode materials

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Title
The structural and chemical origin of the oxygen redox activity in layered and cation-disordered Li-excess cathode materials
Author
Seo, Dong-HwaLee, JinhyukUrban, AlexanderMalik, RahulKang, ShinYoungCeder, Gerbrand
Issue Date
2016-07
Publisher
NATURE PUBLISHING GROUP
Citation
NATURE CHEMISTRY, v.8, no.7, pp.692 - 697
Abstract
Lithium-ion batteries are now reaching the energy density limits set by their electrode materials, requiring new paradigms for Li+ and electron hosting in solid-state electrodes. Reversible oxygen redox in the solid state in particular has the potential to enable high energy density as it can deliver excess capacity beyond the theoretical transition-metal redox-capacity at a high voltage. Nevertheless, the structural and chemical origin of the process is not understood, preventing the rational design of better cathode materials. Here, we demonstrate how very specific local Li-excess environments around oxygen atoms necessarily lead to labile oxygen electrons that can be more easily extracted and participate in the practical capacity of cathodes. The identification of the local structural components that create oxygen redox sets a new direction for the design of high-energy-density cathode materials.
URI
https://scholarworks.unist.ac.kr/handle/201301/30524
URL
https://www.nature.com/articles/nchem.2524
DOI
10.1038/NCHEM.2524
ISSN
1755-4330
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ECHE_Journal Papers
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