Investigation of the electronic structure of organic-inorganic perovskites materials using Hard X-ray photoelectron spectroscopy
Hans Siegbahn a, Johan Oscarsson a, Hakan Rensmo a, Rebecka Lindblad a, Bertrand Philippe a, Michael Odelius b, Naresh K. Jena b, Anders Hagfeldt c, Byung-Wook Park c, Erik Johansson c, Dongqin Bi c
a Department of Physics and Astronomy, Uppsala University, Sweden, Uppsala, Sweden
International Conference on Hybrid and Organic Photovoltaics
Proceedings of 6th International Conference on Hybrid and Organic Photovoltaics (HOPV14)
Ecublens, Switzerland, 2014 May 11th - 14th
Organizers: Michael Graetzel and Mohammad Nazeeruddin
Poster, Bertrand Philippe, 370
Publication date: 1st March 2014

With a general formula (CH3NH3)MX3 (M=Pb and X=I, Cl, Br or mixed halide), organic-inorganic perovskites have shown great promise as light absorbers in solid state mesoscopic solar cells. The perovskite structure works as a combined light absorber and hole conductor and the perovskite are nowadays intensively investigated. The use of perovskite materials have considerably enhance the overall performance of solar cells devices, but this improvement is not totally understood and fundamental key questions remain unsolved in the development of these materials: the understanding of the electronic structure and energy level matching at the different interfaces is one of them.

Photoelectron spectroscopy is a method to obtain such information and when using Hard X-ray can study buried interfaces in a non-destructive way. It is therefore possible to directly measure the occupied energy levels of the perovskite as well as the TiO2 buried beneath, and get a direct measurement of energy level matching of the interface. Theoretically calculated density of states (DOS) using density functional theory (DFT) were used to efficiently disentangle how the valence band edge in organolead halide perovskites is governed by the intrinsic difference in energy levels of the halide ions from the influence of chemical bonding.[1][2]

[1] R. Lindblad et al,, The Electronic Structure of TiO2/CH3NH3PBI3 Perovskite Solar Cell Interfaces, The Journal of Physical Chemitry Letters, 2014, 5, 648-653.
[2] R. Lindblad et al., The Electronic Structure of CH3NH3PbX3 Perovskites; the dependence on the halide moiety, submitted


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