ISIS Neutron and Muon Source Data Journal

Determination of the accurate crystal structure of Na2ZrO3 and its conversion to Na2CO3 upon CO2 uptake

Abstract: The aim of the proposal is to study the crystal structure of Na2ZrO3, which is one of the key solid-state materials for CO2 capture. Laboratory experiments have established a correlation between improved CO2 uptake and heating rates during synthesis. The experiment will enable characterisation of the structural differences between these samples, likely to be differing Na+ content, using neutron powder diffraction. This will involve room temperature data collected on a range of synthesised samples but also in-situ monitoring of structural changes as these samples are exposed to CO2 at elevated temperatures. This will enable valuable correlations between composition and structure of Na2ZrO3 and its CO2 capture performance to be established.

Principal Investigator: Dr Jan-Willem Bos
Experimenter: Mr Fabian Hesse
Local Contact: Dr Ivan da Silva Gonzalez
Experimenter: Dr Aimaro Sanna
Experimenter: Dr Robert Quinn
Experimenter: Mr Connor Gammie
Experimenter: Mr Blair Kennedy

DOI: 10.5286/ISIS.E.RB1920083

ISIS Experiment Number: RB1920083

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 Jan-Willem Bos et al; (2019): Determination of the accurate crystal structure of Na2ZrO3 and its conversion to Na2CO3 upon CO2 uptake, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB1920083