화학공학소재연구정보센터
학회 한국공업화학회
학술대회 2020년 가을 (10/28 ~ 10/30, 광주 김대중컨벤션센터(Kimdaejung Convention Center))
권호 24권 1호
발표분야 [정밀화학] 정밀화학 연구 동향 및 전망
제목 Computational study of electrocatalysts
초록 Computational Materials Science (CMS) is one of R&D tools to understand the nature based on the laws of nature as well as experimental science. CMS can be used to design new materials of desired properties through the key factors, high-throughput virtual screening and new insights. Environmental issues have generated global attention for the development of eco-friendly renewable energy and storage technologies. So, the development of next-generation secondary battery technologies is needed to realize electric vehicles at the level of gasoline cars. As a roadmap of next-generation secondary batteries, all-solid-state batteries will continue the next generation mainstream and metal-air batteries will be the last step in the visible future. The use of CMS will play a very important role for the development of original material technology. This paper introduces the research on the development of cathode catalysts and solid electrolyte materials using CMS.
저자 이상욱
소속 한양대
키워드 Computer Simulation; Battery; Catalyst; Density Functional Theory
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