화학공학소재연구정보센터
학회 한국공업화학회
학술대회 2017년 봄 (05/10 ~ 05/12, 광주 김대중컨벤센센터(Kimdaejung Convention Center))
권호 21권 1호
발표분야 무기재료
제목 The role of Room-Temperature Ionic-Liquid in Electrochemical CO2 Reduction
초록 Many researchers anticipate the efficient transformation of CO2 into more valuable chemicals and fuels. Among the various ongoing attempts, the electrochemical method has certain merits in terms of high reactivity at ambient conditions and good extensibility from small to large-scale processes. In 2011, by Rosen et al., the promising effect of ionic-liquid on the electrochemical CO2 reduction performance have been reported that the mixture electrolyte contains ionic-liquid (18 mol% Emim-BF4) and water lowers the over-potential of CO2 to CO reduction process on silver electrode, but the detailed understanding of complex electrochemical system has not been achieved. In this research, we developed the new grid-based QM/MM methodology which can effectively handle the complex electrostatic interaction between catalyst and mixed electrolyte, and theoretically figured out the major role of ionic-liquid in electrochemical CO2 reduction system.
저자 임형규1, 김형준2
소속 1한국과학기술원 / 응용과학(연), 2한국과학기술원
키워드 ionic-liquid; carbon dioxide; electrochemistry
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