| 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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Anta, Juan A.
Universidad Pablo de Olavide
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (13/13 displayed)
- 2022How to reconcile photovoltaic and photochromic properties in a solar cell ? Contribution of photochromic organic dyes
- 2022Ultrathin Plasma Polymer Passivation of Perovskite Solar Cells for Improved Stability and Reproducibilitycitations
- 2022Transferable Classical Force Field for Pure and Mixed Metal Halide Perovskites Parameterized from First-Principlescitations
- 2020Efficient modelling of ion structure and dynamics in inorganic metal halide perovskitescitations
- 2019Impedance analysis of perovskite solar cells: a case studycitations
- 2018The Role of Surface Recombination on the Performance of Perovskite Solar Cells:Effect of Morphology and Crystalline Phase of TiO 2 Contactcitations
- 2018The Role of Surface Recombination on the Performance of Perovskite Solar Cellscitations
- 2018Role of Ionic Liquid [EMIM]+[SCN]- in the Adsorption and Diffusion of Gases in Metal-Organic Frameworkscitations
- 2018The role of surface recombination on the performance of perovskite solar cells: Effect of morphology and crystalline phase of TiO 2 contactcitations
- 2017Origin and whereabouts of recombination in perovskite solar cellscitations
- 2016Vacuum template synthesis of multifunctional nanotubes with tailored nanostructured wallscitations
- 2015Molecular dynamics simulations of organohalide perovskite precursorscitations
- 2014Comparison of TiO<inf>2</inf> and ZnO solar cells sensitized with an indoline dye: Time-resolved laser spectroscopy studies of partial charge separation processescitations
Places of action
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article
Role of Ionic Liquid [EMIM]+[SCN]- in the Adsorption and Diffusion of Gases in Metal-Organic Frameworks
Abstract
<p>We study the adsorption performance of metal-organic frameworks (MOFs) impregnated of ionic liquids (ILs). To this aim we calculated adsorption and diffusion of light gases (CO<sub>2</sub>, CH<sub>4</sub>, N<sub>2</sub>) and their mixtures in hybrid composites using molecular simulations. The hybrid composites consist of 1-ethyl-3-methylimidazolium thiocyanate impregnated in IRMOF-1, HMOF-1, MIL-47, and MOF-1. We found that the increase of the amount of IL enhances the adsorption selectivity in favor of carbon dioxide for the mixtures CO<sub>2</sub>/CH<sub>4</sub> and CO<sub>2</sub>/N<sub>2</sub> and in favor of methane in the mixture CH<sub>4</sub>/N<sub>2</sub>. We also provide detailed analysis of the microscopic organization of ILs and adsorbates via radial distribution functions and average occupation profiles and study the impact of the ILs in the diffusion of the adsorbates inside the pores of the MOFs. Based on our findings, we discuss the advantages of using IL/MOF composites for gas adsorption to increase the adsorption of gases and to control the pore sizes of the structures to foster selective adsorption.</p>