| 학회 |
한국화학공학회 |
| 학술대회 |
2021년 가을 (10/27 ~ 10/29, 광주 김대중컨벤션센터) |
| 권호 |
27권 2호, p.2165 |
| 발표분야 |
촉매 및 반응공학 |
| 제목 |
Role of Interface for the Water-Gas Shift Reaction over Size-Controlled Supported Metal Catalysts: A Combined Theoretical and Experimental Study |
| 초록 |
Water-gas shift reaction (WGSR) is industrially vital since it converts CO into CO2 by adding H2O to produce H2, which can be used as a fuel and further used for ammonia (NH3) synthesis. Thus, design of an efficient catalyst for WGSR is essential. Supported noble metal catalyst has been widely studied because it can maximize the utility of the noble metal by increasing the dispersion. However, role of the metal-support interface during WGSR has not yet been clearly revealed and is still elusive. For a model system of Pd/Co3O4 catalyst, the role of interface for improved WGS reactivity and the atomistic origin of the activity improved by metal-support interaction were studied using density functional theory (DFT) calculations, combined with genetic algorithm. The results from the DFT calculations are further experimentally validated using size-controlled Pd catalysts. The theoretical insights on the role of interface presented here are believed to provide valuable knowledge to design efficient supported metal catalysts for WGSR. |
| 저자 |
신동재, 황루이, 정석현, 김영비, 성기헌, 한정우
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| 소속 |
포항공과대 |
| 키워드 |
촉매 |
| E-Mail |
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| 원문파일 |
초록 보기 |
