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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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Unexpected discovery of low-cost maricite NaFePO4 as a high-performance electrode for Na-ion batteries

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Title
Unexpected discovery of low-cost maricite NaFePO4 as a high-performance electrode for Na-ion batteries
Author
Kim, JongsoonSeo, Dong-HwaKim, HyungsubPark, InchulYoo, Jung-KeunJung, Sung-KyunPark, Young-UkGoddard, William A., IIIKang, Kisuk
Issue Date
2015-20
Publisher
ROYAL SOC CHEMISTRY
Citation
ENERGY & ENVIRONMENTAL SCIENCE, v.8, no.2, pp.540 - 545
Abstract
Battery chemistry based on earth-abundant elements has great potential for the development of cost-effective, large-scale energy storage systems. Herein, we report, for the first time, that maricite NaFePO4 can function as an excellent cathode material for Na ion batteries, an unexpected result since it has been regarded as an electrochemically inactive electrode for rechargeable batteries. Our investigation of the Na re-(de)intercalation mechanism reveals that all Na ions can be deintercalated from the nano-sized maricite NaFePO4 with simultaneous transformation into amorphous FePO4. Our quantum mechanics calculations show that the underlying reason for the remarkable electrochemical activity of NaFePO4 is the significantly enhanced Na mobility in the transformed phase, which is similar to one fourth of the hopping activation barrier. Maricite NaFePO4, fully sodiated amorphous FePO4, delivered a capacity of 142 mA h g(-1) (92% of the theoretical value) at the first cycle, and showed outstanding cyclability with a negligible capacity fade after 200 cycles (95% retention of the initial cycle).
URI
https://scholarworks.unist.ac.kr/handle/201301/30525
URL
https://pubs.rsc.org/en/content/articlelanding/2015/EE/C4EE03215B#!divAbstract
DOI
10.1039/c4ee03215b
ISSN
1754-5692
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ECHE_Journal Papers
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