| 학회 | 한국공업화학회 |
| 학술대회 | 2020년 가을 (10/28 ~ 10/30, 광주 김대중컨벤션센터(Kimdaejung Convention Center)) |
| 권호 | 24권 1호 |
| 발표분야 | [전기화학] 에너지분야 전기화학 시스템 연구 및 분석 기술 동향 |
| 제목 | 멀티스케일 해석을 이용한 고용량 리튬이차전지의 전기화학적-기계적 거동 연구 |
| 초록 | The mechanical issues on high capacity energy materials (i.e. silicon) prevents their usage as electrode for lithium ion batteries. As alternative, the oxides (i.e. silicon dioxide) are used for a high-expected capacity and strong mechanical stability during cycles. However, the mechanical behavior of amorphous SiO2 during electro-chemical reaction remains largely unknown. Based on the study of the electro-chemo-mechanical coupling analysis, we systematically investigate the stress evolution, the electronic structure and the mechanical deformation of lithiated silicon dioxide through first-principles computation and finite element method. The role of oxygen in amorphous silicon oxide was investigated in structural and thermodynamics point of view. The mechanical strength and brittle behavior of SiO2 due to strong Si-O bonds are also studied. These results would provide fundamental perspectives on the chemo-mechanical behavior of silicon dioxide for the practical use. |
| 저자 | 문장혁 |
| 소속 | 중앙대 |
| 키워드 | lithium ion battery; multiscale; first principle calculation; battery modeling |
