| 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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Khossossi, Nabil
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (11/11 displayed)
- 2023New insights into hydrogen trapping and embrittlement in high strength aluminum alloyscitations
- 2023Computational insights into the superior efficiency of Cs2AgGa(Cl,Br)6 double halide perovskite solar cellscitations
- 2022Stability of and conduction in single-walled Si2BN nanotubescitations
- 2022Promise and reality of organic electrodes from materials design and charge storage perspectivecitations
- 2022Probing the electronic, optical and transport properties of halide double perovskites Rb2InSb(Cl,Br)6 for solar cells and thermoelectric applicationscitations
- 20222D Janus and non-Janus diamanes with an in-plane negative Poisson's ratio for energy applicationscitations
- 2021Cs2InGaX6 (X=Cl, Br, or I)citations
- 2021Thermodynamics and kinetics of 2D g-GeC monolayer as an anode materials for Li/Na-ion batteriescitations
- 2020Carbides-anti-perovskites Mn3(Sn, Zn)Ccitations
- 2020Rational Design of 2D h-BAs Monolayer as Advanced Sulfur Host for High Energy Density Li-S Batteriescitations
- 2020Rational Design of 2D h-BAs Monolayer as Advanced Sulfur Host for High Energy Density Li-S Batteriescitations
Places of action
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article
Probing the electronic, optical and transport properties of halide double perovskites Rb2InSb(Cl,Br)6 for solar cells and thermoelectric applications
Abstract
<p>Halide-based double perovskites have recently been promoted as high-performing semiconductors for photovoltaic and thermoelectricity applications owing to their outstanding efficiency, non-toxicity and ecological stability. In the framework of this research, we have systematically investigated the structural, mechanical, electronic, optical, and thermoelectric properties of Rb<sub>2</sub>InSb(Cl,Br)<sub>6</sub> double halide perovskites. Based on Born stability and tolerance factor criteria, we have found that Rb<sub>2</sub>InSb(Cl,Br)<sub>6</sub> are mechanically and structurally stable. Furthermore, we have performed a comprehensive evaluation of the electronic, optoelectronic, and thermoelectric characteristics. From the electronic band structure results, Rb<sub>2</sub>InSbCl<sub>6</sub> and Rb<sub>2</sub>InSbBr<sub>6</sub> exhibit direct semiconducting band gaps of 1.41 eV and 0.53 eV, respectively. The optical parameters of Rb<sub>2</sub>InSb(Cl,Br)<sub>6</sub> reveal that our active structures have a higher dielectric constant, with maximum absorption in the visible range reaching over 5.68 × 10<sup>5</sup> cm<sup>−1</sup> and high optical conductivity (2.19 fs<sup>−1</sup> for Rb<sub>2</sub>InSbCl<sub>6</sub> and 2.14 fs<sup>−1</sup> for Rb<sub>2</sub>InSbCl<sub>6</sub>). Moreover, the maximum limited spectroscopic efficiency reaches an impressive value of approximately 28.0% for Rb<sub>2</sub>InSbBr<sub>6</sub> and 33.7% for Rb<sub>2</sub>InSbCl<sub>6</sub>. The thermoelectric properties were accurately calculated using the BoltzTraP simulation package. The obtained results reveal a significant electrical conductivity, a strong Seebeck coefficient (S ≈ 2756 μVK<sup>−1</sup> at 300 K), and an average figure of merit close to one for both structures (ZT ≈ 1). Our findings suggest the versatility of these materials and could be used for a wide range of applications, including commercial solar cells and thermoelectricity.</p>