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Kwak, Sang Kyu
Kyu’s MolSim Lab @ UNIST
Research Interests
  • Molecular modeling and simulation, statistical thermodynamics, molecular physics


New Ion Substitution Method to Enhance Electrochemical Reversibility of Co-Rich Layered Materials for Li-Ion Batteries

DC Field Value Language Oh, Pilgun ko Yun, Jeongsik ko Choi, Jae Hong ko Nam, Gyutae ko Park, Seohyeon ko Embleton, Tom James ko Yoon, Moonsu ko Joo, Se Hun ko Kim, Su Hwan ko Jang, Haeseong ko Kim, Hyungsub ko Kim, Min Gyu ko Kwak, Sang Kyu ko Cho, Jaephil ko 2022-12-09T01:38:53Z - 2022-11-16 ko 2023-01 ko
dc.identifier.citation ADVANCED ENERGY MATERIALS, v.13, no.1, pp.2202237 ko
dc.identifier.issn 1614-6832 ko
dc.identifier.uri -
dc.description.abstract The recent development of high-energy LiCoO2 (LCO) and progress in the material recycling technology have brought Co-based materials under the limelight, although their capacity still suffers from structural instability at highly delithiated states. Thus, in this study, a secondary doping ion substitution method is proposed to improve the electrochemical reversibility of LCO materials for Li-ion batteries. To overcome the instability of LCO at highly delithiated states, Na ions are utilized as functional dopants to exert the pillar effect at the Li sites. In addition, Fe-ion substitution (secondary dopant) is performed to provide thermodynamically stable surroundings for the Na-ion doping. Density functional theory calculations reveal that the formation energy for the Na-doped LCO is significantly reduced in the presence of Fe ions. Na and Fe doping improve the capacity retention as well as the average voltage decay at a cutoff voltage of 4.5 V. Furthermore, structural analysis indicates that the improved cycling stability results from the suppressed irreversible phase transition in the Na- and Fe-doped LCO. This paper highlights the fabrication of high-energy Co-rich materials for high voltage operations, via a novel ion substitution method, indicating a new avenue for the manufacturing of layered cathode materials with a long cycle life. ko
dc.language 영어 ko
dc.publisher WILEY-V C H VERLAG GMBH ko
dc.title New Ion Substitution Method to Enhance Electrochemical Reversibility of Co-Rich Layered Materials for Li-Ion Batteries ko
dc.type ARTICLE ko
dc.identifier.scopusid 2-s2.0-85141358021 ko
dc.identifier.wosid 000875463300001 ko
dc.type.rims ART ko
dc.identifier.doi 10.1002/aenm.202202237 ko
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