Spatial microheterogeneity in the valence band of mixed halide hybrid perovskite materials.
| Autor: | Erbing A; Department of Physics, Stockholm University, AlbaNova University Center SE-106 91 Stockholm Sweden odelius@fysik.su.se +46 8 5537 8601 +46 8 5537 8713., Philippe B; Department of Physics and Astronomy, Uppsala University Box 516 SE-751 20 Uppsala Sweden hakan.rensmo@physics.uu.se., Park BW; Department of Physics and Astronomy, Uppsala University Box 516 SE-751 20 Uppsala Sweden hakan.rensmo@physics.uu.se.; Department of Energy and Chemical Engineering, Ulsan National Institute of Science and Technology 50 UNIST-gil, Eonyang-eup, Ulju-gun Ulsan 44919 Korea., Cappel UB; Division of Applied Physical Chemistry, Department of Chemistry, KTH Royal Institute of Technology SE-100 44 Stockholm Sweden., Rensmo H; Department of Physics and Astronomy, Uppsala University Box 516 SE-751 20 Uppsala Sweden hakan.rensmo@physics.uu.se., Odelius M; Department of Physics, Stockholm University, AlbaNova University Center SE-106 91 Stockholm Sweden odelius@fysik.su.se +46 8 5537 8601 +46 8 5537 8713. |
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| Jazyk: | angličtina |
| Zdroj: | Chemical science [Chem Sci] 2022 Jul 19; Vol. 13 (32), pp. 9285-9294. Date of Electronic Publication: 2022 Jul 19 (Print Publication: 2022). |
| DOI: | 10.1039/d2sc03440a |
| Abstrakt: | The valence band of lead halide hybrid perovskites with a mixed I/Br composition is investigated using electronic structure calculations and complementarily probed with hard X-ray photoelectron spectroscopy. In the latter, we used high photon energies giving element sensitivity to the heavy lead and halide ions and we observe distinct trends in the valence band as a function of the I : Br ratio. Through electronic structure calculations, we show that the spectral trends with overall composition can be understood in terms of variations in the local environment of neighboring halide ions. From the computational model supported by the experimental evidence, a picture of the microheterogeneity in the valence band maximum emerges. The microheterogeneity in the valence band suggests that additional charge transport mechanisms might be active in lead mixed halide hybrid perovskites, which could be described in terms of percolation pathways. Competing Interests: There are no conflicts of interest to declare. (This journal is © The Royal Society of Chemistry.) |
| Databáze: | MEDLINE |
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