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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
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article
Computational insights into the superior efficiency of Cs2AgGa(Cl,Br)6 double halide perovskite solar cells
Abstract
<p>Owing to their ecological integrity, non-toxicity, and outstanding performances, Double-Halide perovskites have been vigorously promoted as sustainable alternatives for thermoelectric and photovoltaic applications. In this context, we have systematically explored the structural and mechanical strength characteristics of Cs<sub>2</sub>AgGa(Cl,Br)<sub>6</sub> materials through the tolerance factor analyses and Born stability criteria. Subsequently, a detailed study of their electronic, optical, and thermoelectric properties has been performed. As results, both Cs<sub>2</sub>AgGaCl<sub>6</sub> and Cs<sub>2</sub>AgGaBr<sub>6</sub> show semiconducting nature with a direct bandgap of about 2.57 eV and 1.42 eV, respectively. Additionally, with such desirable band gaps, the optical properties were examined based on the complex dielectric function. It has been derived that both materials exhibit a very high absorption spectrum in the order of 10<sup>5</sup> cm<sup>−1</sup> and a low reflectivity not exceeding more than 18% in the visible and UV region. Furthermore, the Cs<sub>2</sub>AgGaBr<sub>6</sub> has been taken into account as absorber to construct the planar p-intrinsic-n structure (FTO/TiO<sub>2</sub>/Cs<sub>2</sub>AgGaBr<sub>6</sub>/Spiro-OMeTAD/Au) and a high-record efficiency of 32.57% has been reached. The thermoelectric performance was also studied and revealed a very high Seebeck coefficient (thermo-power) and a sufficient figure of merit (ZT). Based on these results, we believe that the studied double-halide perovskites present outstanding performance for both optoelectronic and thermoelectric engineering devices.</p>