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Paris, M., Larramona, G., Bais, P., Bourdais, S., Lafond, A., Chone, C., Guillot-Deudon, C., Delatouche, B., Moisan, C. & Dennler, G. (2015) Sn-119 MAS NMR to Assess the Cationic Disorder and the Anionic Distribution in Sulfoselenide Cu2ZnSn(SxSe1-x)(4) Compounds Prepared from Colloidal and Ceramic Routes. J. Phys. Chem. C, 119 26849–26857. 
Added by: Laurent Cournède (2016-03-10 18:36:40)
Type de référence: Article
DOI: 10.1021/acs.jpcc.51308938
Numéro d'identification (ISBN etc.): 1932-7447
Clé BibTeX: Paris2015
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Catégories: CESES, MIOPS
Mots-clés: absorbers, cu/zn disorder, cu2znsn(s, cu2znsns4, czts materials, diffraction, photoluminescence spectroscopy, photovoltaic materials, raman-scattering, se)(4), solid-state NMR
Créateurs: Bais, Bourdais, Chone, Delatouche, Dennler, Guillot-Deudon, Lafond, Larramona, Moisan, Paris
Collection: J. Phys. Chem. C
Consultations : 3/619
Indice de consultation : 4%
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Crystalline powders of the photovoltaic material candidate copper zinc tin sulfoselenide Cu2ZnSn(SxSe1x)(4) (CZTSSe) with x = S/(S + Se) from 0 to 1 were characterized by Sn-119 solid state nuclear magnetic resonance (NMR) and by powder X-ray diffraction (PXRD). Two series of powders were characterized: one synthesized by a ceramic route and having cationic stoichiometry 2:1:1 and another one synthesized by a colloidal route, having a cationic Cu-poor Zn-rich composition and used as precursors for photovoltaic active films. The homogeneous anionic composition of the samples, which is a feature needed for the NMR analysis of the anionic distribution, has been proved by PXRD. The x values determined from the quantitative analysis of the Sn-119 spectra are in very good agreement with those deduced by PXRD. In addition, the Sn-119 spectra reveal, for the first time, the random distribution of the chalcogen atoms, which seems to be a general process. Finally, a qualitative, but thorough, analysis of the line width of the Sn-119 NMR spectra was undertaken to investigate the Cu/Zn cationic disorder, a feature which can seriously affect the optoelectronic properties of CZTSSe. The cationic disorder turns out to be dependent on the type of cationic composition. Indeed, regardless of x ratios and the synthesis methods, our samples containing A-type defect complexes [V-Cu + Zn-Cu] are less prone to Cu/Zn disorder.
Added by: Laurent Cournède  
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