미래창조과학부 글로벌프론티어 (재)멀티스케일 에너지 시스템 연구단은 나노기술과 에너지

기술의 융합을 통하여 혁신적 미래 광에너지와 분자에너지 원천기술 개발을 목표로 하는 멀티스케일 에너지 시스템 연구사업을 추진하고 있습니다. 연구단에서 국제 저명인사 초청 멀티스케일 에너지 강좌를 개최합니다. 관심 있는 분들의 많은 참석 바랍니다.

      First-principles calculation has been shown to successfully understand the material behaviors at atomic scales and is increasingly expanding the capability through combination with high-throughput computation and data science techniques. In this talk, I will present one of my recent work on the LixMnO3. Although the Li2MnO3 is believed to play an important role in the Li-rich composite materials, promising candidates of Li-ion battery cathode, the material behaviors of the Li2MnO3 have been rarely explained. In particular, the phase transformation of the Li2MnO3 from its layered structure to the spinel-like structure is an urgent issue to be addressed before the commercialization of the Li-rich composite cathode materials. The phase transformation mechanism will be investigated from density functional theory calculations and statistical mechanics approach. Furthermore, based on the revealed mechanism, I will propose the phase transformation can be prevented by doping to Li and Mn. High-throughput screening approach, which is a new trend in the computational materials science, to search for optimal dopants will be introduced briefly

6. 약  력 :

   Dr. Eunseok Lee is currently an Assistant Professor of Mechanical and Aerospace Engineering at the University of Alabama in Huntsville. He was a Chemist Postdoctoral Fellow at Lawrence Berkeley National Laboratory (supervisor: Dr. Kristin A. Persson) and a senior researcher at Computational Modeling Consultants, Inc. (supervisor: Prof. Gerbrand Ceder at MIT).  He received his Ph.D. in Mechanical Engineering with minor in Physics from Stanford University (advisors: Prof. Wei Cai and Prof. Friedrich B. Prinz) and B.S. in Mechanical Engineering from Seoul National University. He has participated in several scientific programs funded by federal agencies: Batteries for Advanced Transportation Technologies (BATT), Energy Frontier Research Centers (EFRC) at Stanford, and Scientific Discovery through Advanced Computing (SciDAC). He has also collaborated with many industrial partners: GM research center, P&G, Envia Systems, Samsung, and Honda.

   최만수 교수, 차석원 교수 (기계항공공학부)