한국표면공학회:학술대회논문집 (Proceedings of the Korean Institute of Surface Engineering Conference)
- 한국표면공학회 2016년도 추계학술대회 논문집
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- Pages.97-97
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- 2016
제일원리 전산모사를 통한 리튬 이온 전지의 LiMn2O4 전극-전해질 계면 반응 분석
First-principles Study on the Formation of Solid-Electrolyte Interphase on the LiMn2O4 Cathode in Li-Ion Batteries
- 발행 : 2016.11.17
초록
Development of advanced Li-ion battery cells with high durability is critical for safe operation, especially in applications to electric vehicles and portable electronic devices. Understanding fundamental mechanism on the formation of a solid-electrolyte interphase (SEI) layer, which plays a substantial role in the electrochemical stability of the Li-ion battery, in a cathode was rarely reported unlike in an anode. Using first-principles density functional theory (DFT) calculations and ab-initio molecular dynamic (AIMD) simulations we demonstrate atomic-level process on the generation of the SEI layer at the interface of a carbonate-based electrolyte and a spinel
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