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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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Vasilopoulou, Maria
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (15/15 displayed)
- 2023A Triethyleneglycol C 60 Mono-adduct Derivative for Efficient Electron Transport in Inverted Perovskite Solar Cellscitations
- 2023Efficient and Stable Air-Processed Ternary Organic Solar Cells Incorporating Gallium-Porphyrin as an Electron Cascade Material.
- 2023Neuromorphic computing based on halide perovskitescitations
- 2023A Triethyleneglycol C60 Mono‐adduct Derivative for Efficient Electron Transport in Inverted Perovskite Solar Cellscitations
- 2022Advances in solution-processed near-infrared light-emitting diodescitations
- 2022Carbon Nanodots as Electron Transport Materials in Organic Light Emitting Diodes and Solar Cells.
- 2022Functionalized BODIPYs as Tailor‐Made and Universal Interlayers for Efficient and Stable Organic and Perovskite Solar Cellscitations
- 2022Core–shell carbon-polymer quantum dot passivation for near infrared perovskite light emitting diodescitations
- 2021Advances in solution-processed near-infrared light-emitting diodescitations
- 2021Defect processes in halogen doped SnO2citations
- 2021Roadmap on organic-inorganic hybrid perovskite semiconductors and devicescitations
- 2021Robust inorganic hole transport materials for organic and perovskite solar cells : insights into materials electronic properties and device performancecitations
- 2017Avoiding ambient air and light induced degradation in high-efficiency polymer solar cells by the use of hydrogen-doped zinc oxide as electron extraction materialcitations
- 2014Atomic-layer-deposited aluminum and zirconium oxides for surface passivation of TiO 2 in high-efficiency organic photovoltaicscitations
- 2010Nanostructured metal oxides as cathode interfacial layers for hybrid-polymer electronic devices
Places of action
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article
Defect processes in halogen doped SnO2
Abstract
In the present study, we performed density functional theory calculations (DFT) to investigate structural changes and their impact on the electronic properties in halogen (F, Cl, Br, and I) doped tin oxide (SnO2). We performed calculations for atoms intercalated either at interstitial or substitutional positions and then calculated the electronic structure and the optical properties of the doped SnO2. In all cases, a reduction in the bandgap value was evident, while gap states were also formed. Furthermore, when we insert these dopants in interstitial and substitutional positions, they all constitute a single acceptor and donor, respectively. This can also be seen in the density of states through the formation of gap states just above the valence band or below the conduction band, respectively. These gap states may contribute to significant changes in the optical and electronic properties of SnO2, thus affecting the metal oxide’s suitability for photovoltaics and photocatalytic devices. In particular, we found that iodine (I) doping of SnO2 induces a high dielectric constant while also reducing the oxide’s bandgap, making it more efficient for light-harvesting applications.