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Sourisseau, S., Louvain, N., Bi, W., Mercier, N., Rondeau, D., Boucher, F., Buzare, J.-Y. & Legein, C. (2007) Reduced band gap hybrid perovskites resulting from combined hydrogen and halogen bonding at the organic-inorganic interface. Chem. Mat. 19 600–607. 
Added by: Laurent Cournède (2016-03-10 22:02:31)
Type de référence: Article
DOI: 10.1021/cm062380e
Numéro d'identification (ISBN etc.): 0897-4756
Clé BibTeX: Sourisseau2007
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Catégories: ST2E
Mots-clés: augmented-wave method, basis-set, br, crystal-structure, geometry, layers, optical-properties, phase-transition, total-energy calculations, x-ray
Créateurs: Bi, Boucher, Buzare, Legein, Louvain, Mercier, Rondeau, Sourisseau
Collection: Chem. Mat.
Consultations : 12/427
Indice de consultation : 2%
Indice de popularité : 0.5%
Résumé     
Undistorted perovskite layers are formed in PbI4-based hybrid perovskites incorporating X-(CH2)(2)-NH3+ (X = Br, Cl) cations. The outstanding structural feature of these compounds is the result of halogen and hydrogen bonding at the organic-inorganic interface, leading to the absence of hydrogen bonds between equatorial iodine atoms of the perovskite layer and ammonium parts, these last being located out of perovskite layers. As a consequence, these red salts display a reduced band gap (2.2 eV) which is assigned to a more disperse HOMO band compared to other salts such as (I-(CH2)(2)-NH3)(2)PbI4.
Added by: Laurent Cournède  
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