| 학회 |
한국공업화학회 |
| 학술대회 |
2021년 봄 (05/12 ~ 05/14, 부산 벡스코(BEXCO)) |
| 권호 |
25권 1호 |
| 발표분야 |
학생우수논문발표(박사과정) |
| 제목 |
Preferential oxidation of CO under H2-rich conditions catalyzed by Pt single-atoms |
| 초록 |
Preferential oxidation of CO (PROX) under H2-rich conditions is the final stage of the sequential hydrogen production process combined with the methane reforming and the water-gas shift reaction to reduce the CO content below 10 ppm. Because the PROX is applied to selectively oxidize and remove CO from a mixture of H2 and CO, a catalyst with high catalytic selectivity toward CO oxidation is required. Here, we use density functional theory calculations to study the mechanism of PROX catalyzed by Pt single-atoms (SAs) confined to the CeOx-TiO2 interfaces1 formed on the surface of CeOx/TiO2 hybrid-oxide supporting particles. We found that the homogeneity in the reaction site morphology of Pt/CeOx-TiO2 enables preferred adsorption of CO on Pt-SAs even under the high H2 concentration, preventing H2 activation. The subsequent experimental performance test results confirmed that Pt-SAs preferentially oxidize CO at low reaction temperatures. |
| 저자 |
최혁1, 유미1, 하현우1, 강은지1, 김상우2, 정우철2, 김현유1
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| 소속 |
1충남대, 2KAIST |
| 키워드 |
PROX; DFT; SAC
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| E-Mail |
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