ISIS Neutron and Muon Source Data Journal

Oxygen Dynamics in Y2O3 doped Bi2O3: (Bi0.8Y0.2)2O3 and (Bi0.6Y0.4)2O3

Abstract: The high ionic conducting delta-phase of Bi2O3 can be stabilized at ambient temperature in a range of compositions, viz., (Bi1-xYx)2O3 (x=0.1 -0.5). We would measure quasielastic neutron scattering (QENS) spectra for (Bi0.8Y0.2)2O3 and (Bi0.6Y0.4)2O3 from 300 K to 1050 K. Our ab initio molecular dynamics calculations show that macroscopic diffusion (although less) is attainable in yttria stabilized Bi2O3 at much lower temperatures, which is more suited for technological applications. . Our molecular dynamics simulation shows that diffusion in (Bi1-xYx)2O3 (x=0.1 - 0.5) starts at a smaller rate yet macroscopic diffusion is attainable at a low temperature of around 600 K. The study of (Bi0.8Y0.2)2O3 and (Bi0.6Y0.4)2O3 would enable us better to understand the role of non-stoichiometry and structural disorder in leading to high diffusion coefficient of oxygen atoms in doped compounds.

Principal Investigator: Dr Prabhatasree Goel
Experimenter: Dr Devashi Adroja
Experimenter: Dr Mayanak Kumar Gupta
Experimenter: Mr Sajan Kumar
Local Contact: Dr Sanghamitra Mukhopadhyay
Experimenter: Dr Samrath Lal Chaplot
Experimenter: Dr Ranjan Mittal
Experimenter: Mr Samiran Malgope

DOI: 10.5286/ISIS.E.RB2220388

ISIS Experiment Number: RB2220388

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 Prabhatasree Goel et al; (2024): Oxygen Dynamics in Y2O3 doped Bi2O3: (Bi0.8Y0.2)2O3 and (Bi0.6Y0.4)2O3, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2220388

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