| 학회 |
한국화학공학회 |
| 학술대회 |
2018년 봄 (04/25 ~ 04/27, 창원컨벤션센터) |
| 권호 |
24권 1호, p.802 |
| 발표분야 |
촉매 및 반응공학 |
| 제목 |
Understanding the acid behavior of monomeric V on TiO2 from DFT calculation and DRIFT experiments |
| 초록 |
V2O5/TiO2 system is widely used in various reactions including ethanol partial oxidation, oxidative dehydrogenation of light alkanes, and selective catalytic reduction of NOx. Since the adsorption of reactants on the catalyst surface is known to be an inevitable step in many reactions, there are many reports correlating the acidity of the catalyst and the catalytic performance. Therefore, understanding the acidic nature of the V/TiO2 surface is quite important in anticipating catalytic behavior. In this study, we optimized the configuration of monomeric vanadium oxides on anatase TiO2(101) surface using DFT calculations to find out the adsorption sites of NH3 molecules. These results explained the formation of Bronsted acid sites on V/TiO2 surface, which are not observed in pure TiO2. Combined DRIFT study also demonstrates that monomeric V can act as a Lewis acidic site as well as Bronsted acidic site. |
| 저자 |
송인학1, 이재하1, 이건희2, 한정우3, 김도희1
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| 소속 |
1서울대, 2서울시립대, 3포항공과대 |
| 키워드 |
촉매 및 반응공학 |
| E-Mail |
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| 원문파일 |
초록 보기 |
