ISIS Neutron and Muon Source Data Journal

Effects of High Pressure on the Lattice Dynamics of Zirconium Metal-Organic Frameworks Observed via Inelastic Neutron Spectroscopy

Abstract: Zirconium-based metal-organic frameworks (MOFs) are topical nanoporous hybrid materials with tremendous potential for structural versatility and physico-chemical tuneability. The project will involve the application of TOSCA spectrometer in conjunction with a high-pressure cell (2.5 GPa) to study the lattice vibrations of Zr-based MOFs under hydrostatic compression. The major aims are: (i) to investigate the spectral evolution as a function of hydrostatic pressure and temperature, (ii) to study the anomalous phenomenon of negative linear compressibility (NLC), and (iii) to identify and explain the lattice dynamical changes in the low-energy Terahertz region. The results will reveal new science of MOFs associated with lattice dynamics under high pressure, which is a topic yet to be investigated to date.

Principal Investigator: Professor Jin-Chong Tan
Experimenter: Miss Bárbara Souza
Experimenter: Mr Kirill Titov
Experimenter: Mr Abhijeet Chaudhari
Experimenter: Mr Zhixin (Jason) Zeng
Experimenter: Mr Matthew Ryder
Experimenter: Dr Svemir Rudic
Experimenter: Professor Felix Fernandez-Alonso

DOI: 10.5286/ISIS.E.RB1610173

ISIS Experiment Number: RB1610173

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:
Professor Jin-Chong Tan et al; (2016): Effects of High Pressure on the Lattice Dynamics of Zirconium Metal-Organic Frameworks Observed via Inelastic Neutron Spectroscopy, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1610173

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