Artículo
Dynamic Disorder Restriction of Methylammonium (MA) Groups in Chloride-Doped MAPbBr 3 Hybrid Perovskites: A Neutron Powder Diffraction Study
Lopez, Carlos Alberto
; Álvarez Galván, María Consuelo; Martínez Huerta, María Victoria; Fernández Díaz, María Teresa; Alonso, José Antonio
Fecha de publicación:
03/2019
Editorial:
Wiley VCH Verlag
Revista:
Chemistry- A European Journal
ISSN:
0947-6539
Idioma:
Inglés
Tipo de recurso:
Artículo publicado
Clasificación temática:
Resumen
The hybrid methylammonium (MA) lead halide MAPbX 3 perovskites present an appealing optoelectronic behavior with applications in high-efficiency solar cells. The orientation of the organic MA units may play an important role in the properties, given the degrees of freedom for internal motion of MA groups within the PbX 6 network. The present neutron powder diffraction study reveals the dynamic features of the MA units in the hybrid perovskite series MAPb(Br 1−x Cl x ) 3 , with x=0, 0.33, 0.5, 0.67, and 1. From difference Fourier maps, the H and C/N positions were located within the PbX 6 lattice; the refinement of the crystal structures unveiled the MA conformations. Three different orientations were found to exist as a function of the chlorine content (x) and, therefore, of the cubic unit-cell size. These conformations are stabilized by H-bond interactions with the halide ions, and were found to agree with those reported from theoretical calculations.
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Articulos(INTEQUI)
Articulos de INST. DE INVEST. EN TECNOLOGIA QUIMICA
Articulos de INST. DE INVEST. EN TECNOLOGIA QUIMICA
Citación
Lopez, Carlos Alberto; Álvarez Galván, María Consuelo; Martínez Huerta, María Victoria; Fernández Díaz, María Teresa; Alonso, José Antonio; Dynamic Disorder Restriction of Methylammonium (MA) Groups in Chloride-Doped MAPbBr 3 Hybrid Perovskites: A Neutron Powder Diffraction Study; Wiley VCH Verlag; Chemistry- A European Journal; 25; 17; 3-2019; 4496-4500
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