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학술발표회초록보기

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  • 02월 28일 19시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제111회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Multiscale Simulations On the Mechanism of Dye-Sensitized Solar Cell Systems

등록일
2013년 2월 14일 16시 44분 11초
접수번호
1242
발표코드
EVNR2-2 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
발표시간
목 15시 : 10분
발표형식
심포지엄
발표분야
환경에너지 - Recent Trends in Renewable Energy
저자 및
공동저자
김형준
한국과학기술원(KAIST) EEWS대학원, Korea
To achieve the improved sustainability though the develoment of renewable energy source, it is required to understand the operational mechanism of the complex materials and systems of renewable energy systems for the development and modifications of their own properties. However, such materials or systems often consist complicated multiscale natures characterized by a sequential electron transportation, subtle balance of thermodynamic driving forces, ill-defined structural characteristics, etc; thus, it is often difficult to unveil the underlying mechanism. Thus, we use first-principles based multi-scale computational methods to understand, predict, and design the material structures for the renewable energy systems. In this talk, we discuss our recent studies on the dynamics and charge transfer mechanism of dye sensitized solar cells (DSSCs) that have been considered as promising alternatives to photovoltaic devices. From the combination of quantum mechanical simulations and molecular dynamics simulations, we discuss the complicated role of confined water molecules in DSSC electrolytes, and further suggest the new dye-regeneration pathway based on the fast inner-sphere electron transfer.

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