ISIS Neutron and Muon Source Data Journal

INS study of novel thermoelectric metal-organic frameworks

Abstract: Thermoelectrics (TEs) are an important class of materials that can directly convert thermal waste heat into useful electrical energy and have great potential to contribute to the sustainability agenda. Despite such possibilities, barriers exist to their widespread adoption due to the low efficiency of current materials. Metal-organic frameworks (MOFs) are an class of porous materials which are comprised of a self-assembled lattice structure of positive metal ions or clusters coordinated to anionic ?linkers?. They also make ideal candidates for new TE materials given their ultra-low thermal conductivity and tunable electrical conductivity. A number of TE MOFs with a general formula M3(Linker)2 where M = Cu(II) or Ni(II), and Linker = hydroxytriphenylene or hexaaminotriphenylene have demonstrated promising TE capabilities, in particular upon absorption of guests in their porous network. Understanding the vibrational properties of the materials (interaction and dynamics) as a function of their composition and molecular doping is essential for their improved design. Thus, we request 2 days of beamtime on TOSCA to complete the INS study of above-mentioned doped and un-doped compounds.

Principal Investigator: Dr Iris Nandhakumar
Experimenter: Professor J. Fred Mosselmans
Local Contact: Dr Svemir Rudic
Experimenter: Dr Luke Keenan
Experimenter: Mr Robert Clarke

DOI: 10.5286/ISIS.E.RB2420511

ISIS Experiment Number: RB2420511

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 Iris Nandhakumar et al; (2024): INS study of novel thermoelectric metal-organic frameworks, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2420511

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