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| Naji, M. |
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| Motta, Antonella |
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| Aletan, Dirar |
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| Mohamed, Tarek |
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| Ertürk, Emre |
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| Taccardi, Nicola |
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| Kononenko, Denys |
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| Petrov, R. H. | Madrid |
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| Alshaaer, Mazen | Brussels |
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| Bih, L. |
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| Casati, R. |
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| Muller, Hermance |
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| Kočí, Jan | Prague |
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| Šuljagić, Marija |
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| Kalteremidou, Kalliopi-Artemi | Brussels |
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| Azam, Siraj |
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| Ospanova, Alyiya |
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| Blanpain, Bart |
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| Ali, M. A. |
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| Popa, V. |
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| Rančić, M. |
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| Ollier, Nadège |
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| Azevedo, Nuno Monteiro |
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| Landes, Michael |
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| Rignanese, Gian-Marco |
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Bredas, Jean-Luc
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (16/16 displayed)
- 2023Additive-free molecular acceptor organic solar cells processed from a biorenewable solvent approaching 15% efficiencycitations
- 2022Controlled n‐Doping of Naphthalene‐Diimide‐Based 2D Polymerscitations
- 2018Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigationcitations
- 2017Singlet Fission in Rubrene Derivatives: Impact of Molecular Packingcitations
- 2017High operational and environmental stability of high-mobility conjugated polymer field-effect transistors achieved through the use of molecular additivescitations
- 2017High operational and environmental stability of high-mobility conjugated polymer field-effect transistors through the use of molecular additives.
- 2017Open-Circuit Voltage in Organic Solar Cells: The Impacts of Donor Semicrystallinity and Coexistence of Multiple Interfacial Charge-Transfer Bandscitations
- 2016High operational and environmental stability of high-mobility conjugated polymer field-effect transistors through the use of molecular additivescitations
- 2016Improving the Stability of Organic Semiconductors: Distortion Energy versus Aromaticity in Substituted Bistetracenecitations
- 2016Passivation of Molecular n-Doping: Exploring the Limits of Air Stabilitycitations
- 2016Ionization Energies, Electron Affinities, and Polarization Energies of Organic Molecular Crystals: Quantitative Estimations from a Polarizable Continuum Model (PCM)-Tuned Range-Separated Density Functional Approachcitations
- 2016Spectroscopy and control of near-surface defects in conductive thin film ZnOcitations
- 2016Phosphonic Acids for Interfacial Engineering of Transparent Conductive Oxidescitations
- 2015Magnetite Fe3O4 (111) Surfaces: Impact of Defects on Structure, Stability, and Electronic Propertiescitations
- 2015Effect of Solvent Additives on the Solution Aggregation of Phenyl-C61-Butyl Acid Methyl Ester (PCBM)citations
- 2012Controlled Conjugated Backbone Twisting for an Increased Open-Circuit Voltage while Having a High Short-Circuit Current in Poly(hexylthiophene) Derivativescitations
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article
Characterization of the Valence and Conduction Band Levels of n = 1 2D Perovskites: A Combined Experimental and Theoretical Investigation
Abstract
This study presents a combined experimental and theoretical study of the electronic structure of two 2D metal halide perovskite films. Ultraviolet and inverse photoemission spectroscopies are performed on solution-processed thin films of the n = 1 layered perovskite butylammonium lead iodide and bromide, BA2PbI4 and BA2PbBr4, characterized by optical absorption and X-ray diffraction, to determine their valence and conduction band densities of states, transport gaps, and exciton binding energies. The electron spectroscopy results are compared with the densities of states determined by density functional theory calculations. The remarkable agreement between experiment and calculation enables a detailed identification and analysis of the organic and inorganic contributions to the valence and conduction bands of these two hybrid perovskites. The electron affinity and ionization energies are found to be 3.1 and 5.8 eV for BA2PbI4, and 3.1 and 6.5 eV for BA2PbBr4. The exciton binding energies are estimated to be 260 and 300 meV for the two materials, respectively. The 2D lead iodide and bromide perovskites exhibit significantly less band dispersion and a larger density of states at the band edges than the 3D analogs. The effects of using various organic ligands are also discussed.