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Correlative Spectroscopy Mapping of the Prospective Photovoltaic Material Bournonite using Raman and Cathodoluminescence [dataset] Open Access

The polar material bournonite (CuPbSbS3) is of interest as a new absorber layer for thin-film photovoltaics. At present, efficiencies are low and there is a lack of fundamental knowledge on the structural and optoelectronic properties of the material in thin-film form. In this study, we report complete experimental Raman spectra, which are interpreted with the help of ab initio calculations. Raman maps reveal variation of relative peak intensities both within grains and across grains as most likely caused by crystal anisotropy. We also present correlated hyperspectral cathodoluminescence (CL) results and observe a red shift of the CL peak wavelength of 5 to 15 nm at the bournonite grain boundaries. Transmission electron microscopy reveals Cu enrichment along grain boundaries that, together with CuPb antisite and interstitial Cu point defect formation, is proposed to cause the luminescence red shift

Descriptions

Resource type

Dataset

Contributors

Creator: Rigby, Oliver ¹
Creator: Mendis, Budhika ¹

¹ Durham University

Funder

Engineering and Physical Sciences Research Council

Research methods

Other description

Keyword

Bournonite
Grain boundaries
Raman spectra
Cathodoluminescence

Subject

Grain boundaries
Raman effect
Cathodoluminescence

Location

Language

Cited in

Identifier

ark:/32150/r1k930bx10h
doi:10.15128/r1k930bx10h

Rights

Creative Commons Attribution 4.0 International (CC BY)

Publisher

Durham University

Date Created

File Details

Depositor

B.G. Mendis

Date Uploaded

14 April 2025, 13:04:26

Date Modified

15 April 2025, 14:04:25

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Characterization

File format: zip (ZIP Format)

Mime type: application/zip

File size: 76132038

Last modified: 2025:04:15 13:17:01+01:00

Filename: CuPbSbS3 Map Data.zip

Original checksum: a28a63c0c0ed19f53ec78e756847b572