화학공학소재연구정보센터
학회 한국공업화학회
학술대회 2018년 가을 (10/31 ~ 11/02, 제주국제컨벤션센터(ICC JEJU))
권호 22권 2호
발표분야 (석유화학.윤활유/촉매/국제협력위/JPI) 최근 C1 화학용 불균일 촉매 개발 현황 1
제목 Computational investigation of mechanism of electro-chemical conversion of methane to alcohols on Fe2O3 and Nb-doped NiO with ZrO2 catalysts: based on first-principles calculations
초록 C1 chemistry, which is based on conversion of C1-hydrocarbons, such as methane and carbon dioxide, is a predominant area to produce diverse useful-materials. Among the related technology, electro-chemical conversion of those hydrocarbons is considered as an important method. Despite high attention in electro-chemical conversion to syngas or alcohols, only a few studies were reported. For this reason, mechanism of the electro-chemical conversion of methane is still being studied to secure fundamental understandings of those reactions. This study aims to suggest mechanisms of electro-chemical conversion of methane to alcohols, mainly to methanol or ethanol, via electro-catalytic reaction on Fe2O3 or Nb-doped NiO with ZrO2. The results will be compared with experiments.
저자 이원보
소속 서울대
키워드 methane; catalyst; catalytic reaction;
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