ISIS Neutron and Muon Source Data Journal

Investigating the Structure of a Defective, Disordered Metal?Organic Framework

Abstract: Metal?organic frameworks (MOFs) are three-dimensional porous materials, composed of inorganic nodes and organic linkers. The incorporation of defects into crystalline frameworks has shown promise in modifying electronic, magnetic and mass-transport properties, whilst, on the other hand, highly disordered materials have also recently become of interest.Computationally, we have created several potential models for the extended structure of a commercially useful non-crystalline Iron (III) tricarboxylate system (Fe-BTC), and have started to produce an atomistic model using data collected at ISIS and DLS. We know that we can create defects within the Fe-BTC by ball-mlling, and wish to perform neutron scattering measurements on this defective amorphous system, which we can then use to produce an atomistic configuration of a defective ,amorphous MOF for the first time.

Principal Investigator: Dr Tom Bennett
Experimenter: Dr Timothy Johnson
Experimenter: Dr Hamish Cavaye
Local Contact: Professor David Keen
Experimenter: Mr Adam Sapnik
Experimenter: Miss Irene Bechis

DOI: 10.5286/ISIS.E.RB2010662

ISIS Experiment Number: RB2010662

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
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Data Citation

The recommended format for citing this dataset in a research publication is as:
[author], [date], [title], [publisher], [doi]

For Example:
Dr Tom Bennett et al; (2020): Investigating the Structure of a Defective, Disordered Metal?Organic Framework, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2010662

Data is released under the CC-BY-4.0 license.