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Bais, P., Caldes, M. T., Paris, M., Guillot-Deudon, C., Fertey, P., Domenges, B. & Lafond, A. (2017) Cationic and Anionic Disorder in CZTSSe Kesterite Compounds: A Chemical Crystallography Study. Inorganic Chemistry, 56 11779–11786. 
Added by: Richard Baschera (2017-10-24 13:30:33)   Last edited by: Richard Baschera (2017-10-24 13:53:55)
Type de référence: Article
DOI: 10.1021/acs.inorgchem.7b01791
Numéro d'identification (ISBN etc.): 0020-1669
Clé BibTeX: Bais2017
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Catégories: IMN, MIOPS
Créateurs: Bais, Caldes, Domenges, Fertey, Guillot-Deudon, Lafond, Paris
Collection: Inorganic Chemistry
Consultations : 6/323
Indice de consultation : 2%
Indice de popularité : 0.5%
Résumé     
The cationic and anionic disorder in the Cu2ZnSnSe4-Cu2ZnSnS4. (CZTSe-CZTS) system has been investigated through a chemical crystallography approach including X-ray diffraction (in conventional and resonant setup), Sn-119 and Se-77 NMR spectroscopy, and high-resolution transmission electron microscopy (HRTEM) techniques. Single-crystal XRD analysis demonstrates that the studied compounds behave as a solid solution with the kesterite crystal structure in the whole S/(S + Se) composition range. As previously reported for pure sulfide and pure selenide compounds, the Sn-119 NMR spectroscopy study gives clear evidence that the level of Cu/Zn disorder in mixed S/Se compounds depends on the thermal history of the samples (slow cooled or quenched). This conclusion is also supported by the investigation of the Se-77 NMR spectra. The resonant single crystal XRD technique shows that regardless of the duration of annealing step below the order disorder critical temperature the ordering is not a long-range phenomenon. Finally, for the very first time, HREM images of pure selenide and mixed S/Se crystals clearly show that these compounds have different microstructures. Indeed, only the mixed S/Se compound exhibits a mosaic-type contrast which could be the sign of short-range anionic order. Calculated images corroborate that HRTEM contrast is highly dependent on the nature of the anion as well as on the local anionic order.
  
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