화학공학소재연구정보센터
학회 한국화학공학회
학술대회 2017년 가을 (10/25 ~ 10/27, 대전컨벤션센터)
권호 23권 2호, p.2431
발표분야 [특별 심포지엄]초저에너지 자동차 초저배출 사업단 심포지엄(촉매부문위원회)
제목 Effect of Metal Dopants on Ceria Catalysts for CO Oxidation
초록 Ceria is one of the most widely used support materials as well as catalysts for diverse oxidation reactions due to its high oxygen storage capacity and high stability over the wide range of temperatures. Although many experiments or density functional theory (DFT) calculations for CO oxidation on doped CeO2 have been carried out, they focused only on few dopant elements or specific dopant element types of RE or TM. In this study, we investigated the effect of all of the RE metal or TM dopants on CeO2 for CO oxidation in a combination of computational and experimental approaches. Especially, we decoupled the intrinsic effect of RE dopants for CO oxidation by well-controlled size and surface area in our experiments, followed by the corresponding DFT calculations. In addition, based on high-throughput computational screening results, we successfully synthesized and confirmed the promising pairs of TM co-dopants to significantly enhance the catalytic activity of CO oxidation on CeO2.
저자 한정우
소속 서울시립대
키워드 Ceria; CO oxidation; Dopant; Computational Modeling; Density Functional Theory
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