Repositorio de producción científica de la Universidad de Sevilla

Hybrid Perovskite, CH3NH3PbI3, for Solar Applications: An Experimental and Theoretical Analysis of Substitution in A and B Sites

Opened Access Hybrid Perovskite, CH3NH3PbI3, for Solar Applications: An Experimental and Theoretical Analysis of Substitution in A and B Sites

Citas

buscar en

Estadísticas
Icon
Exportar a
Autor: Sánchez Coronilla, Antonio
Navas Pineda, Francisco Javier
Gallardo Bernal, Juan Jesús
Martín Fernández, Elisa Isabel
De los Santos Martínez, Desirée
Cruz Hernández, Norge
Alcántara, Rodrigo
Hidalgo Toledo, José
Fernández Lorenzo, Concha
Departamento: Universidad de Sevilla. Departamento de Química Física
Fecha: 2017
Publicado en: Journal of Nanomaterials, 2017, 1-11.
Tipo de documento: Artículo
Resumen: The effect of the incorporation of NH4+ into the CH3NH3+ sites of the tetragonal perovskite CH3NH3PbI3 is analysed. Also, how it affects the introduction of Cd2+ cations into Pb2+ sites for a perovskite with 25 at.% of NH4+ is addressed. The incorporation of NH4+ into perovskite leads to a dramatic loss of crystallinity and to the presence of other phases. Moreover, the NH4PbI3 was not found. The less formation of perovskite when NH4+ is incorporated is due to geometrical factors and not changes in the chemical state bonding of the ions. Also, the samples where perovskite is formed show similar band gap values. A slight increase is observed for samples with x=0.5 and 0.75. For the sample with x=1, a drastic increase of the band gap is obtained. Periodic-DFT calculations agree with the experimental structural tendency when NH4+ is incorporated and the density of states analysis confirmed the experimental band gap. The perovskite with 25 at.% of NH4+ was selected for studying the effect...
[Ver más]
Cita: Sánchez Coronilla, A., Navas Pineda, F.J., Gallardo Bernal, J.J., Martín Fernández, E.I., De los Santos Martínez, D., Cruz Hernández, N.,...,Fernández Lorenzo, C. (2017). Hybrid Perovskite, CH3NH3PbI3, for Solar Applications: An Experimental and Theoretical Analysis of Substitution in A and B Sites. Journal of Nanomaterials, 2017, 1-11.
Tamaño: 2.812Mb
Formato: PDF

URI: http://hdl.handle.net/11441/63430

DOI: 10.1155/2017/9768918

Ver versión del editor

Mostrar el registro completo del ítem


Esta obra está bajo una Licencia Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 Internacional

Este registro aparece en las siguientes colecciones