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제109회 대한화학회 학술발표회, 총회 및 기기전시회 안내 The Role of Confined Water in Ionic Liquid Electrolytes for Dye Sensitized Solar Cells

등록일
2012년 2월 16일 15시 04분 54초
접수번호
0989
발표코드
PHYS.P-450 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
4월 25일 (수요일) 18:00~21:00
발표형식
포스터
발표분야
물리화학
저자 및
공동저자
전지원, 김형준1, William A. Goddard2
KAIST EEWS, Korea
1KAIST EEWS대학원, Korea
2California institute of Technology, United States
Ionic liquids (ILs) provide an attractive medium for various chemical and redox reactions, where they are generally regarded as hydrophobic. However, Seddon et al. discovered that 4-10 wt% water absorbs into ILs that contain bulky anions, And Cammarata et al. found that the molecular state of water in ILs is dramatically different from that of bulk liquid water or that of water vapor. To determine the microstructure of water incorporated into ILs and the impact on properties, we carried out first principles-based molecular dynamics simulations. We find water in three distinct phases depending on water content, and that the transport properties depend on the nature of the water phases. These results suggest that the optimal water content is ∼10 % mole fraction of water molecules (∼1.1 wt%) for applications such as non-volatile electrolytes for dye sensitized solar cells (DSSC). This suggests a strategy for improving the performance of IL DSSC by replacing water with additives that would play the same role as water (since too much water can deteriorate performance at the anode-dye interface).

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