화학공학소재연구정보센터
학회 한국공업화학회
학술대회 2019년 가을 (10/30 ~ 11/01, 제주국제컨벤션센터(ICC JEJU))
권호 23권 2호
발표분야 (나노) 나노에너지 기술과 공업화학
제목 Computational study of solid state electrolyte
초록 The safety issue of Li-ion battery (LIB) has been extremely emerged as the increase in size of LIBs for electrical cars and devices because of flammable organic electrolytes. After discovering Li superionic conductors, such as Li10GeP2S12 (LGPS) and Li7La3Zr2O12 (LLZO), huge of researches have been promoted to replace organic electrolytes with nonflammable ceramic solid electrolytes. Here, we designed the crystal structures by controlling ratio x in Li6-xS5-xCl1+x with imporved ionic conductivity. We expect the increased conductivity was originated from lowered energy barriers of the concerted Li-ion diffusion. Our results provide a possibility of improving alkali-ion conductivity of superionic conductors by controlling the amount of Li-ion in the crystal structures.
저자 이상욱
소속 한양대
키워드 Density Functional Therory; Lithium Ion Battery; Electrolyte; Solid State
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