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The role of chloride in the MAPbI3–x Cl x perovskite is still limitedly understood, albeit subjected of much debate. Here, we present a combined angle-resolved X-ray photoelectron spectroscopy (AR-XPS) and first-principles DFT modeling to investigate the MAPbI3–x Cl x/TiO2 interface. AR-XPS analyses carried out on ad hoc designed bilayers of MAPbI3–x Cl x perovskite deposited onto a flat TiO2 substrate reveal that the chloride is preferentially located in close proximity to the perovskite/TiO2 interface. DFT calculations indicate the preferential location of chloride at the TiO2 interface compared to the bulk perovskite due to an increased chloride–TiO2 surface affinity. Furthermore, our calculations clearly demonstrate an interfacial chloride-induced band bending, creating a directional “electron funnel” that may improve the charge collection efficiency of the device and …
American Chemical Society
Publication date: 
3 Oct 2014

Silvia Colella, Edoardo Mosconi, Giovanna Pellegrino, Alessandra Alberti, Valentino LP Guerra, Sofia Masi, Andrea Listorti, Aurora Rizzo, Guglielmo Guido Condorelli, Filippo De Angelis, Giuseppe Gigli

Biblio References: 
Volume: 5 Issue: 20 Pages: 3532-3538
The journal of physical chemistry letters