ISIS Neutron and Muon Source Data Journal

A study of proton hopping kinetics in polar metal oxides

Abstract: Proton diffusion kinetics of Ru-doped metal oxides including polar and non-polar MgO and Mg3N2 under different temperatures will be investigated by an in-situ quasi-elastic neutron scattering (QENS) technique. Combined with computational modelling such as density functional theory (DFT) calculations and molecular dynamics (MD) simulations, QENS data are expected to provide information about proton microscopic transport coefficients as well as energetics of diffusion, enabling an understanding of the proton transfer pathway across close-packed oxygen/ nitrogen polar surfaces. This work will lead to a more rational design of high-temperature proton-conducting material that will be used in proton exchange membrane fuel cell.

Principal Investigator: Professor Edman Tsang
Experimenter: Miss Tatchamapan Yoskamtorn
Experimenter: Dr Pu Zhao
Experimenter: Mr Simson Wu
Local Contact: Dr Sanghamitra Mukhopadhyay

DOI: 10.5286/ISIS.E.RB2010394

ISIS Experiment Number: RB2010394

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 Edman Tsang et al; (2021): A study of proton hopping kinetics in polar metal oxides, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2010394

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