Abstract

The role of chloride in the MAPbI(3_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 MAPbI(3-x)Cl(x)/TiO2 interface. AR-XPS analyses carried out on ad hoc designed bilayers of MAPbI(3-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 possibly affecting also recombination pathways. Our findings represent a step forward to the rationalization of the peculiar properties of mixed halide perovskite, allowing one to further address material and device design issues.

Autore Pugliese

• Rizzo Aurora

Tutti gli autori

• S. Colella ; E. Mosconi ; G. Pellegrino; A. Alberti ; V.L.P. Guerra; S. Masi; A. Listorti ; A. Rizzo ; G.G. Condorelli ; F. De Angelis; G. Gigli

Titolo volume/Rivista

The journal of physical chemistry letters

Anno di pubblicazione

2014

ISSN

1948-7185

ISBN

Non Disponibile

Numero di citazioni Wos

Nessuna citazione

Ultimo Aggiornamento Citazioni

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Numero di citazioni Scopus

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Ultimo Aggiornamento Citazioni

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Settori ERC

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Codici ASJC

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