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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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Wang, Hongxia
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (23/23 displayed)
- 2024Unraveling the Mechanism of Alkali Metal Fluoride Post‐Treatment of SnO<sub>2</sub> for Efficient Planar Perovskite Solar Cellscitations
- 2024Oxygen-Mediated (0D) Cs4PbX6 Formation during Open-Air Thermal Processing Improves Inorganic Perovskite Solar Cell Performancecitations
- 2024Oxygen-Mediated (0D) Cs4PbX6 Formation during Open-Air Thermal Processing Improves Inorganic Perovskite Solar Cell Performancecitations
- 2024Polymorphous nanostructured metallic glass coatings for corrosion protection of medical grade Ti substratecitations
- 2023Nanomechanical surface properties of co-sputtered thin film polymorphic metallic glasses based on Ti-Fe-Cu, Zr-Fe-Al, and Zr-W-Cucitations
- 2022Study of Pb-based and Pb-free perovskite solar cells using Cu-doped Ni1-xO thin films as hole transport materialcitations
- 2022Simulation of perovskite solar cells using molybdenum oxide thin films as interfacial layer for enhancing device performancecitations
- 2022Surface Treatment of Inorganic CsPbI3 Nanocrystals with Guanidinium Iodide for Efficient Perovskite Light-Emitting Diodes with High Brightnesscitations
- 2021Structural, electronic and optical properties of lead-free antimony-copper based hybrid double perovskites for photovoltaics and optoelectronics by first principles calculationscitations
- 2020Strategically Constructed Bilayer Tin (IV) Oxide as Electron Transport Layer Boosts Performance and Reduces Hysteresis in Perovskite Solar Cellscitations
- 2019Multi-biofunctional properties of three species of cicada wings and biomimetic fabrication of nanopatterned titanium pillarscitations
- 2019Ab initio atomistic insights into lead-free formamidinium based hybrid perovskites for photovoltaics and optoelectronicscitations
- 2019Low hysteresis perovskite solar cells using e-beam evaporated WO3-x thin film as electron transport layercitations
- 2019Efficiency enhancement of Cu2ZnSnS4 thin film solar cells by chromium dopingcitations
- 2019Evaluation of particle beam lithography for fabrication of metallic nano-structurescitations
- 2018[Front cover] Tuning the amount of oxygen vacancies in sputter-deposited SnOx films for enhancing the performance of perovskite solar cells (ChemSusChem 18/2018)
- 2018Insight into lead-free organic-inorganic hybrid perovskites for photovoltaics and optoelectronics: A first-principles studycitations
- 2018Optimization of Mo/Cr bilayer back contacts for thin-film solar cellscitations
- 2018Thermal effect on CZTS solar cells in different process of ZnO/ITO window layer fabricationcitations
- 2018Tuning of oxygen vacancy in sputter-deposited SnOx films for enhancing the performance of perovskite solar cellscitations
- 2017Prospects of e-beam evaporated molybdenum oxide as a hole transport layer for perovskite solar cellscitations
- 2017Towards lead-free perovskite photovoltaics and optoelectronics by ab-initio simulationscitations
- 2016Investigation of the electrochemical growth of a Cu-Zn-Sn film on a molybdenum substrate using a citrate solutioncitations
Places of action
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article
Insight into lead-free organic-inorganic hybrid perovskites for photovoltaics and optoelectronics: A first-principles study
Abstract
Semiconducting lead (Pb) free organic-inorganic hybrid perovskites have become more attractive for possible applications in solar cells and other optoelectronic devices. In this study, a first-principles density functional theory (DFT) calculations have been carried out to explore the structural, electronic, optical and mechanical properties of Pb-free organic-inorganic hybrid perovskites MABX<sub>3</sub> (MA = CH<sub>3</sub>NH<sub>3</sub>, B = Sn, Ge; X = I, Br, Cl) and the results are compared with the Pb-containing perovskites MAPbX<sub>3</sub> (X = I, Br, Cl). High absorption, low reflectivity and high optical conductivity have been observed in our simulations. These compounds are found to be direct band gap semiconductors suitable for solar cells and other optoelectronic devices. Our calculation indicates that tin (Sn) has superior properties alternative to Pb as the Sn containing compounds have excellent electronic, optical and mechanical properties. MASnI<sub>3</sub> is found to be one of the best Pb-free materials embracing these properties. For example, the unique mechanical property of MASnI<sub>3</sub> makes the compound flexible and easy to be fabricated into thin films. We believe these results will benefit the development of Pb-free hybrid solar cells as well as other optoelectronic devices.