Electronic Structure of CH3NH3PbX3 Perovskites: Dependence on the Halide Moiety
| Autor: | Michael Odelius, Suman Mandal, D. D. Sarma, Naresh K. Jena, Andreas Lindblad, Rebecka Lindblad, Hans Siegbahn, Banabir Pal, Bertrand Philippe, Erik M. J. Johansson, Dongqin Bi, Håkan Rensmo, O. Karis, Johan Oscarsson |
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| Rok vydání: | 2015 |
| Předmět: |
Valence (chemistry)
Chemistry Binding energy Halide Heterojunction Electronic structure Surfaces Coatings and Films Electronic Optical and Magnetic Materials Condensed Matter::Materials Science General Energy X-ray photoelectron spectroscopy Chemical physics Physics::Atomic and Molecular Clusters Physical chemistry Condensed Matter::Strongly Correlated Electrons Density functional theory Physical and Theoretical Chemistry Perovskite (structure) |
| Zdroj: | The Journal of Physical Chemistry C. 119:1818-1825 |
| ISSN: | 1932-7455 1932-7447 |
| DOI: | 10.1021/jp509460h |
| Popis: | A combination of measurements using photoelectron spectroscopy and calculations using density functional theory (DFT) was applied to compare the detailed electronic structure of the organolead halide perovskites CH3NH3PbI3 and CH3NH3PbBr3. These perovskite materials are used to absorb light in mesoscopic and planar heterojunction solar cells. The Pb 4f core level is investigated to get insight into the chemistry of the two materials. Valence level measurments are also included showing a shift of the valence band edges where there is a higher binding energy of the edge for the CH3NH3PbBr3 perovskite. These changes are supported by the theoretical calculations which indicate that the differences in electronic structure are mainly caused by the nature of the halide ion rather than structural differences. The combination of photoelectron spectroscopy measurements and electronic structure calculations is essential to disentangle how the valence band edge in organolead halide perovskites is governed by the intr... |
| Databáze: | OpenAIRE |
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