Spatial microheterogeneity in the valence band of mixed halide hybrid perovskite materials
| العنوان: | Spatial microheterogeneity in the valence band of mixed halide hybrid perovskite materials |
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| المؤلفون: | Erbing, Axel, Philippe, Bertrand, Park, B. -W, Cappel, Ute B., Rensmo, H., Odelius, M. |
| المصدر: | Chemical Science. 13(32):9285-9294 |
| مصطلحات موضوعية: | Electronic structure, Hybrid materials, Lead compounds, Perovskite, Photons, Solvents, X ray photoelectron spectroscopy, Computational modelling, Electronic structure calculations, Experimental evidence, Halide ions, Hard X-ray photoelectron spectroscopy, Lead ions, Local environments, Microheterogeneity, Photon energy, Valence-band maximums, Valence bands |
| الوصف: | 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. |
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| URL الوصول: | https://urn.kb.se/resolve?urn=urn:nbn:se:kth:diva-326467 https://doi.org/10.1039/d2sc03440a |
| قاعدة البيانات: | SwePub |
| تدمد: | 20416520 20416539 |
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| DOI: | 10.1039/d2sc03440a |