ISIS Neutron and Muon Source Data Journal

QENS study of Proton Diffusion in Gas Capture Porous Materials

Abstract: Metal Organic Frameworks (MOFs) with high proton conductivity are promising materials for proton-exchange membrane fuel cells. We developed a new proton conductor based upon MIL-96(Al) modified by both NO2 and HNO3. The NO2 gas loaded sample (NO @MIL-96(Al)) achieves 0.11 S cm at 80 oC 99% RH with a low activation energy (0.24 eV), indicative of a Grotthuss hopping network. HNO @MIL-96(Al), reaches 8.23 10 3 S cm (Ea=0.67 eV) at the same condition, which is consistent with a vehicle mechanism. NO /H O diffusion may lead to a closely packed hydrogen-bond lattice compared with HNO . The unambiguous mechanistic insight gained will serve as a fundamental guide for the rational design of future materials. To elucidate these dynamics at the atomic scale, we request 6 days on IRIS for QENS study at 5 363 K on MIL-96(Al), NO @MIL-96(Al), and HNO @MIL-96(Al).

Principal Investigator: Professor Sihai Yang
Experimenter: Mr Yuhang Yang
Experimenter: Professor Martin Schroder
Experimenter: Dr Daniel Lee
Local Contact: Dr Ian Silverwood
Experimenter: Mr Benjamin Moore
Experimenter: Mr Tianze Zhou

DOI: 10.5286/ISIS.E.RB2610046

ISIS Experiment Number: RB2610046

Publisher: STFC ISIS Neutron and Muon Source

Data format: RAW/Nexus
Select the data format above to find out more about it.

Data Citation

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

For Example:
Professor Sihai Yang et al; (2026): QENS study of Proton Diffusion in Gas Capture Porous Materials, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2610046

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