Fluoride mediated nano-sized ZSM-5 （ZSM-5-F） with a high Si/AI ratio of 181 was fabricated using a seed-induction method and evaluated the catalysis of the methanol to propylene （MTP） reaction. High propylene sele...Fluoride mediated nano-sized ZSM-5 （ZSM-5-F） with a high Si/AI ratio of 181 was fabricated using a seed-induction method and evaluated the catalysis of the methanol to propylene （MTP） reaction. High propylene selectivity （45%） was similar to ZSM-5-OH synthesized via a hydroxide route. However, ZSM- 5-F showed much longer lifetime （305 h） compared with ZSM-5-OH （157 h） in spite of similar crystal size and aluminum content. Characterization by NH3-TPD. Py-IR, OH-IR, SEM, TG-DTA, XRD and 1H MAS NMR techniques indicated that the enhanced catalytic performance of ZSM-S-F is attributed to the fewer structural defects in the form of internal silanol groups and silanol nests.展开更多
The adsorptions of a series of alkali metal （AM） atoms, Li, Na, K, Rb and Cs, on a Si（001）-2 × 2 surface at 0.25 monolayer coverage have been investigated systematically by means of density functional theory ...The adsorptions of a series of alkali metal （AM） atoms, Li, Na, K, Rb and Cs, on a Si（001）-2 × 2 surface at 0.25 monolayer coverage have been investigated systematically by means of density functional theory calculations. The effects of the size of AM atoms on the Si（001） surface are focused in the present work by examining the most stable adsorption site, diffusion path, band structure, charge transfer, and the change of work function for different adsorbates. Our results suggest that, when the interactions among AM atoms are neglectable, these AM atoms can be divided into three classes. For Li and Na atoms, they show unique site preferences, and correspond to the strongest and weakest AM-Si interactions, respectively. In particular, the band structure calculation indicates that the nature of Li-Si interaction differs significantly from others. For the adsorptions of other AM atoms with larger size （namely, K, Rb and Cs）, the similarities in the atomic and electronic structures are observed, implying that the atom size has little influence on the adsorption behavior for these large AM atoms on the Si（001） surface.展开更多
文摘Fluoride mediated nano-sized ZSM-5 （ZSM-5-F） with a high Si/AI ratio of 181 was fabricated using a seed-induction method and evaluated the catalysis of the methanol to propylene （MTP） reaction. High propylene selectivity （45%） was similar to ZSM-5-OH synthesized via a hydroxide route. However, ZSM- 5-F showed much longer lifetime （305 h） compared with ZSM-5-OH （157 h） in spite of similar crystal size and aluminum content. Characterization by NH3-TPD. Py-IR, OH-IR, SEM, TG-DTA, XRD and 1H MAS NMR techniques indicated that the enhanced catalytic performance of ZSM-S-F is attributed to the fewer structural defects in the form of internal silanol groups and silanol nests.
基金supported by the National Natural Science Foundation of China(21203027)Fuzhou University(2012-XQ-11)
文摘The adsorptions of a series of alkali metal （AM） atoms, Li, Na, K, Rb and Cs, on a Si（001）-2 × 2 surface at 0.25 monolayer coverage have been investigated systematically by means of density functional theory calculations. The effects of the size of AM atoms on the Si（001） surface are focused in the present work by examining the most stable adsorption site, diffusion path, band structure, charge transfer, and the change of work function for different adsorbates. Our results suggest that, when the interactions among AM atoms are neglectable, these AM atoms can be divided into three classes. For Li and Na atoms, they show unique site preferences, and correspond to the strongest and weakest AM-Si interactions, respectively. In particular, the band structure calculation indicates that the nature of Li-Si interaction differs significantly from others. For the adsorptions of other AM atoms with larger size （namely, K, Rb and Cs）, the similarities in the atomic and electronic structures are observed, implying that the atom size has little influence on the adsorption behavior for these large AM atoms on the Si（001） surface.
