Tuning the Mechanical Response of Metal-Organic Frameworks by Defect Engineering

Journal of the American Chemical Society
Stefano DissegnaGregor Kieslich

Abstract

The incorporation of defects into crystalline materials provides an important tool to fine-tune properties throughout various fields of materials science. We performed high-pressure powder X-ray diffraction experiments, varying pressures from ambient to 0.4 GPa in 0.025 GPa increments to probe the response of defective UiO-66 to hydrostatic pressure for the first time. We observe an onset of amorphization in defective UiO-66 samples around 0.2 GPa and decreasing bulk modulus as a function of defects. Intriguingly, the observed bulk moduli of defective UiO-66(Zr) samples do not correlate with defect concentration, highlighting the complexity of how defects are spatially incorporated into the framework. Our results demonstrate the large impact of point defects on the structural stability of metal-organic frameworks (MOFs) and pave the way for experiment-guided computational studies on defect engineered MOFs.

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Citations

Dec 12, 2018·Chemical Communications : Chem Comm·Marilyn Esclance DMelloSuresh Babu Kalidindi
Aug 4, 2019·Chemistry : a European Journal·Hong LiHong-Tao Sun
May 28, 2020·Angewandte Chemie·Simon KrauseSusumu Kitagawa
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Feb 26, 2021·Journal of the American Chemical Society·Hanna L B BoströmAndrew B Cairns
Mar 6, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Claire L Hobday, Gregor Kieslich
Jun 25, 2021·Chemical Science·Isabel Abánades LázaroCarlos Martí-Gastaldo
Aug 4, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Isabel Abánades LázaroFrancisco G Cirujano
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