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Cited by 1,457

The DOI matches its Crossref record; 35 of the 35 references it cites were found in a registry or an index.

Unusual and Highly Tunable Missing-Linker Defects in Zirconium Metal–Organic Framework UiO-66 and Their Important Effects on Gas Adsorption

Wu, Hui, Chua, Yong Shen, Krungleviciute, Vaiva, Tyagi, Madhusudan, Chen, Ping, Yildirim, Taner, Zhou, Wei·2013·Journal of the American Chemical Society
DOI 10.1021/ja404514r
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Abstract

UiO-66 is a highly important prototypical zirconium metal-organic framework (MOF) compound because of its excellent stabilities not typically found in common porous MOFs. In its perfect crystal structure, each Zr metal center is fully coordinated by 12 organic linkers to form a highly connected framework. Using high-resolution neutron power diffraction technique, we found the first direct structural evidence showing that real UiO-66 material contains significant amount of missing-linker defects, an unusual phenomenon for MOFs. The concentration of the missing-linker defects is surprisingly high, ∼10% in our sample, effectively reducing the framework connection from 12 to ∼11. We show that by varying the concentration of the acetic acid modulator and the synthesis time, the linker vacancies can be tuned systematically, leading to dramatically enhanced porosity. We obtained samples with pore volumes ranging from 0.44 to 1.0 cm(3)/g and Brunauer-Emmett-Teller surface areas ranging from 1000 to 1600 m(2)/g, the largest values of which are ∼150% and ∼60% higher than the theoretical values of defect-free UiO-66 crystal, respectively. The linker vacancies also have profound effects on the gas adsorption behaviors of UiO-66, in particular CO2. Finally, comparing the gas adsorption of hydroxylated and dehydroxylated UiO-66, we found that the former performs systematically better than the latter (particularly for CO2) suggesting the beneficial effect of the -OH groups. This finding is of great importance because hydroxylated UiO-66 is the practically more relevant, non-air-sensitive form of this MOF. The preferred gas adsorption on the metal center was confirmed by neutron diffraction measurements, and the gas binding strength enhancement by the -OH group was further supported by our first-principles calculations.

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Metadata

Authors
Wu, H., Chua, Y. S., Krungleviciute, V., Tyagi, M., Chen, P., Yildirim, T., & Zhou, W.
Venue
Journal of the American Chemical Society
Publisher
American Chemical Society (ACS)
Published
2013-07-08
Volume
135
Issue
28
Pages
10525-10532
ISSN
  • 0002-7863 (ISSN-L)
  • 1520-5126
DOI
10.1021/ja404514r
OpenAlex
W2027743899
Cited by
1,457
References
35
FWCI
37.40
Type
journal article
Language
en
Open access
closed

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