| People | Locations | Statistics |
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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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Adnan, Muhammad
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (10/10 displayed)
- 2024Improving the Industrial Efficiency of Recycling Aluminum Alloy Chips Using Friction Stir Extrusion: Thin Wires Production Processcitations
- 2024Microstructural and Mechanical Characteristics Examination of Ultrasonically Welded Joints Using Orthogonal Experimentationcitations
- 2024Correlating Chemical Structure and Charge Carrier Dynamics in Phenanthrocarbazole‐Based Hole Transporting Materials for Efficient Perovskite Solar Cellscitations
- 2024Investigating the influence of deposition techniques and processing conditions on AA2024/SiC FSW joints: Evaluation of microstructural and mechanical propertiescitations
- 2023Role of Aromatic Heterocyclic Core-Based Materials as Donors for Organic and as Hole-Transporting Materials for Perovskites Solar cellscitations
- 2023Strategic Optimization of Annealing Parameters for Efficient and Low Hysteresis Triple Cation Perovskite Solar Cellcitations
- 2022Compressive Behavior of Interlocking Plastic Blocks Structural Elements Having Slendernesscitations
- 2022Aluminum doping effects on interface depletion width of Low temperature processed ZnO Electron Transport Layer-Based Perovskite Solar cellscitations
- 2022Nanoengineering of NiO/MnO2/GO Ternary Composite for Use in High-Energy Storage Asymmetric Supercapacitor and Oxygen Evolution Reaction (OER)citations
- 2019Impact Analysis of Water Quality on the Development of Construction Materialscitations
Places of action
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article
Correlating Chemical Structure and Charge Carrier Dynamics in Phenanthrocarbazole‐Based Hole Transporting Materials for Efficient Perovskite Solar Cells
Abstract
<jats:title>ABSTRACT</jats:title><jats:p>Polymeric hole transport materials (HTMs) have emerged because of their potential to produce dopant‐free, efficient, and stable perovskite solar cells (PSCs). Therefore, we engineered 10 novel donor materials (SMH1–SMH10) containing phenanthrocarbazole‐based polymeric structures for organic and PSCs. These molecules underwent bridging‐core modifications using different spacers, such as furan (N1), pyrrole (N2), benzene (N3), pyrazine (N4), dioxane (N5), isoxazole (N6), isoindole (N7), indolizine (N8), double bond (N9), and pyrimidine (N10), in comparison to reference molecule R. The study examined the structure–property relationship and the impact of these modifications on the optical, photovoltaic, photophysical, and optoelectronic characteristics of the newly designed SMH1–SMH10 series. Density functional theory (DFT) and time‐dependent density functional theory (TD‐DFT) calculations were conducted to analyze frontier molecular orbitals, density of states, reorganization energies, open‐circuit voltage, transition density matrix, and charge transfer processes. Results show that the newly designed molecules (SMH1–SMH10) exhibited superior optoelectronics characteristics compared to the R molecule. Among these, SMH4 is the most promising candidate, with a small band gap (2.79 eV), low electron and hole mobility (<jats:italic>λ</jats:italic><jats:sub>e</jats:sub> 0.0028 eV, <jats:italic>λ</jats:italic><jats:sub>h</jats:sub> 0.0020 eV), lower binding energy (<jats:italic>E</jats:italic><jats:sub>b</jats:sub> 0.58 eV), high <jats:italic>λ</jats:italic><jats:sub>max</jats:sub> values (656.42 nm in gas, 573.34 nm in chlorobenzene), and a high <jats:italic>V</jats:italic><jats:sub>oc</jats:sub> of 1.30 V. Therefore, this study demonstrated that bridging‐core modifications offer a simple and effective strategy for designing desirable characteristics molecules for photovoltaic applications.</jats:p>