Definitive copper-zinc distributions in the photovoltaic Cu2ZnSnS4
Copper zinc tin sulfide (CZTS, Cu2ZnSnS4)) is of great interest in respect of applications in solar cells. A major problem with practical CZTS solar cells is processing to control the cation distribution at the atomic level of the main kesterite phase. Disorder between a pair of Zn and Cu sites is believed to provide centres for electron/hole recombination. Raman spectroscopy may be used to qualitatively investigate this disorder but no definitive structure determination has been achieved. This is because of the isoelectronic nature of Cu/Zn (negating X-ray methods) and peak overlap in the tetragonal unit cell ( negating powder methods). Single crystal neutron diffraction data will allow us to determine definitively the Zn/Cu distribution in CZTS phases and we will study crystals that have been annealed at different processing temperatures to produce ordered and partly ordered materials. This will allow the qualitative Raman data on the same crystals to be mapped onto the exact Zn/Cu distributions determined in this study. This in turn will be crucial in allowing rapid Raman measurements to be used during industrial processing of CZTS films.
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WELLER Mark T.; CHARLES Bethan; FABELO ROSA Oscar Ramon and NG Tat Ming Mako. (2017). Definitive copper-zinc distributions in the photovoltaic Cu2ZnSnS4. Institut Laue-Langevin (ILL) doi:10.5291/ILL-DATA.5-11-422
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