ISIS Neutron and Muon Source Data Journal

Effect of cation disorder on electron?phonon coupling in NaBiS2

Abstract: NaBiS2 has recently emerged as a promising photovoltaic material. When prepared in nano particulate form, its structure is that of a disordered rocksalt (DRX): Na+ and Bi3+ ions are distributed across the cation site, and S2? ions are on the anion site of the Fm-3m rocksalt structure. The presence of occupational and displacive disorder is thought to help localise photoexcited electrons and holes in different parts of the structure. This proposal aims to characterise the lattice dynamics of NaBiS2, its dependence on temperature and also on nanoparticle size. Our aim is to understand the effect of compositional disorder on the vibrational structure of the system, which is key to mediating the relaxation processes that follow photoexcitation. a

Public release date: 14 December 2026

Experimenter: Miss Yixin Wang
Experimenter: Professor Andrew Goodwin
Experimenter: Mr Quentin Gueroult
Experimenter: Dr Helen Walker
Local Contact: Dr Mohamed Aouane
Experimenter: Professor Robert Hoye
Experimenter: Dr Yi-Teng Huang

DOI: 10.5286/ISIS.E.RB2310425-1

Parent DOI: 10.5286/ISIS.E.RB2310425

ISIS Experiment Number: RB2310425

Part Number: 1

Date of Experiment: 11 December 2023

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:
Miss Yixin Wang et al; (2023): Effect of cation disorder on electron?phonon coupling in NaBiS2, STFC ISIS Neutron and Muon Source, https://doi.org/10.5286/ISIS.E.RB2310425-1

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