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发表时间:2019-05-24 阅读次数:

祝贺郭帆同学文章发表于Chemical Science

 

Facet-dependent photocatalytic hydrogen production of metal-organic framework NH2-MIL-125(Ti)

 

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         Facet-dependent catalytic activity of hard materials such as metals and metal xides is well recognized in previous works. However, it has rarely been established for metal-organic frameworks (MOFs), possibly because the soft crystals of MOFs are conceptually different from the hard solids. In this work, the surface structure of MOF NH2-MIL-125(Ti) has been investigated by density functional theory (DFT) calculations for the first time. These calculations predict that {110} facet has a surface energy of 1.18 J/m2, superior to that of {001}, {100} and {111} facets. This difference can be attributed to the larger percentages of exposed metal clusters, which can act as active sites in catalysis. Thus we have devised and successfully obtained a series of nanoscaled MOFs NH2-MIL-125(Ti) with controlled facets both experimentally and theoretically. The sample containing {110} facet exhibits the highest photocatalytic hydrogen production activity and apparent quantum yield, which are about three times of the sample with a dominant {111} facet.

 

文章链接https://doi.org/10.1039/C8SC05060K

 

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