| 학회 |
한국재료학회 |
| 학술대회 |
2008년 봄 (05/22 ~ 05/23, 상록리조트) |
| 권호 |
14권 1호 |
| 발표분야 |
에너지환경/생체재료 |
| 제목 |
Design of electrode materials for Li rechargeable batteries by integrating ab initio calculations with experiments |
| 초록 |
We have combined theoretical investigation using ab initio calculations with experimental realization to develop an advanced high power Li battery electrode material. Li diffusion in electrode materials was thoroughly investigated by performing systematic ab-initio computations on the factors affecting Li motion. The power capability of the Li rechargeable battery is critically dependent on how fast Li ions and electrons can move in the battery, especially in the electrode. In this theoretical investigation, we found the cause for the low rate behavior of the promising electrode material, LiNi0.5Mn0.5O2. Based on this knowledge, we were able to judiciously re-engineer the crystal structure. A new processing scheme was developed in order to realize the desirable structure that circumvents the cause of poor rate capability. LiNi0.5Mn0.5O2 with modified structure obtained by the new process resulted in excellent rate behavior in a good agreement with our prediction. |
| 저자 |
강기석1, Gerbrand Ceder2, Ying Shirley Meng3, Clare P. Grey4, JulienBreger4
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| 소속 |
1KAIST 신소재 공학과, 2MIT, 3Univ. of Florida, 4State Univ. of NewYork at StonyBrook |
| 키워드 |
리튬 이차전지; 양극 활물질 설계
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| E-Mail |
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