| 학회 | 한국화학공학회 |
| 학술대회 | 2022년 봄 (04/20 ~ 04/23, 제주국제컨벤션센터) |
| 권호 | 28권 1호, p.61 |
| 발표분야 | [주제 1] 계산화학 |
| 제목 | Computational design of electrode materials for Li-ion batteries using first-principles calculation |
| 초록 | With the growing interest in power sources for large applications such as the HEV (hybrid electric vehicle) or PHEV (plug-in hybrid electric vehicle), lithium rechargeable batteries are finding new opportunities in this emerging area. Intensive research efforts are focused on developing suitable electrode material, the key component of lithium rechargeable batteries, for these applications. The new electrode materials for lithium rechargeable batteries for use in HEVs and PHEVs require high stability, high power, high energy, and low cost. In this talk, I will present the first-principles results on the oxygen redox activity in Li-excess cathode materials [1] and the reaction mechanism of Li4+xTi5O12 anode materials [2]. A fundamental understanding of the electrode’s properties based on first principles can accelerate the development of new electrode materials. References [1] D.-H. Seo et al., Nature Chem., 8 692 (2016) [2] D.-H. Seo et al., Science, 367 (6481) 1030 (2020) |
| 저자 | 서동화 |
| 소속 | 울산과학기술원 |
| 키워드 | 재료(Materials) |
| 원문파일 | 초록 보기 |
