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Issue 18, 2019
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Facet-dependent photocatalytic hydrogen production of metal–organic framework NH2-MIL-125(Ti)

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Abstract

Facet-dependent catalytic activity of hard materials such as metals and metal oxides 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 the MOF NH2-MIL-125(Ti) has been investigated by density functional theory (DFT) calculations for the first time. These calculations predict that the {110} facet has a surface energy of 1.18 J m−2, which is superior to those of the {001}, {100} and {111} facets. This difference can be attributed to the larger percentage of exposed metal clusters, which can act as active sites in catalysis. Thus, we have devised and successfully obtained a series of nanoscaled NH2-MIL-125(Ti) MOFs with controlled facets both experimentally and theoretically. The sample containing the {110} facet exhibits the highest photocatalytic hydrogen production activity and apparent quantum yield, which are approximately three times those of the sample with a dominant {111} facet.

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

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Publication details

The article was received on 13 Nov 2018, accepted on 01 Apr 2019 and first published on 01 Apr 2019


Article type: Edge Article
DOI: 10.1039/C8SC05060K
Chem. Sci., 2019,10, 4834-4838
  • Open access: Creative Commons BY-NC license
    All publication charges for this article have been paid for by the Royal Society of Chemistry

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

    F. Guo, J. Guo, P. Wang, Y. Kang, Y. Liu, J. Zhao and W. Sun, Chem. Sci., 2019, 10, 4834
    DOI: 10.1039/C8SC05060K

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