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Tuning the mechanical response of metal-organic frameworks by defect engineering

DOI: 10.1021/jacs.8b07098 DOI Help

Authors: Stefano Dissegna (Technical University of Munich) , Pia Vervoorts (Technical University of Munich) , Claire L. Hobday (University of Bath) , Tina Düren (University of Bath) , Dominik Daisenberger (Diamond Light Source) , Andrew J. Smith (Diamond Light Source) , Roland A. Fischer (Technical University of Munich) , Gregor Kieslich (Technical University of Munich)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Journal Of The American Chemical Society

State: Published (Approved)
Published: August 2018
Diamond Proposal Number(s): 19187

Open Access Open Access

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 diffrac-tion experiments varying pressures from ambient to 0.4 GPa in 0.025 GPa increments to probe the response of defective UiO-66 to hydro-static 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 function of defects. Intruingingly, 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 MOFs and pave the way for experiment-guided computational studies on defect engi-neered MOFs.

Journal Keywords: Modulators; Metal organic frameworks; Physical and chemical processes; Diffraction; Defects; Materials

Subject Areas: Materials, Chemistry

Instruments: I15-Extreme Conditions

Added On: 03/09/2018 08:57


Discipline Tags:

Chemistry Materials Science Metal-Organic Frameworks Metallurgy Organometallic Chemistry

Technical Tags:

Diffraction X-ray Powder Diffraction