화학공학소재연구정보센터
학회 한국고분자학회
학술대회 2011년 봄 (04/07 ~ 04/08, 대전컨벤션센터)
권호 36권 1호
발표분야 고분자 이론 및 시뮬레이션
제목 Molecular dynamics simulation study on graphene-based supercapacitors
초록 Energy and power densities of supercapacitors based on a single-sheet graphene electrode in two different types of electrolytes, a room-temperature ionic liquid (RTIL) and an organice electrolyte are compared by performing molecular dynamics simulations. Two electrolytes of different types are considered, i.e., 1-ethyl-3-methylimidazolium tetrafluoroborate as an RTIL and its solution in acetonitrile as an organic electrolye. Structure of ions near the electrified graphene surface varies significantly with its charge distribution in the RTIL. Specific capacitance normalized to the electrode surface area is found to be larger in pure RTIL case than in acetonitrile solution. Transport properties of ions are studied by calculating the ion conductivity via the Green-Kubo relaton.
저자 정연준
소속 서울대
키워드 graphene; supercapacitor; MD
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