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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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Hollenkamp, Anthony
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (20/20 displayed)
- 2022Sustainable cyanide-C60 fullerene cathode to suppress the lithium polysulfides in a lithium-sulfur batterycitations
- 2022Coating Methods
- 2021Long-Life Power Optimised Lithium-ion Energy Storage Device
- 2021Comparing Physico-, Electrochemical and Structural Properties of Boronium vs Pyrrolidinium Cation Based Ionic Liquids and Their Performance as Li-ion Battery Electrolytescitations
- 2021Conjugated Microporous Polycarbazole-Sulfur Cathode Used in a Lithium-Sulfur Battery
- 2020In situ synchrotron XRD and sXAS studies on Li-S batteries with ionic-liquid and organic electrolytescitations
- 2019Electrochemically controlled deposition of ultrathin polymer electrolyte on complex microbattery electrode architecturescitations
- 2019Organic salts utilising the hexamethylguanidinium cation: the influence of the anion on the structural, physical and thermal propertiescitations
- 2018From Lithium Metal to High Energy Batteries
- 2018Integrating polymer electrolytes: A step closer to 3D-Microbatteries for MEMS
- 2017Electrochemistry of Lithium in Ionic Liquids - Working With and Without a Solid Electrolyte Interphase
- 2017A step closer to 3D-Microbatteries for sensors: integrating polymer electrolytes
- 2016Optimising the concentration of LiNO3 additive in C4mpyr-TFSI electrolyte-based Li-S batterycitations
- 2015S/PPy composite cathodes for Li-S batteries prepared by facile in-situ 2-step electropolymerisation process
- 2015Ionic transport through a composite structure of N-ethyl-N-methylpyrrolidinium tetrafluoroborate organic ionic plastic crystals reinforced with polymer nanofibrescitations
- 2013Extensive charge-discharge cycling of lithium metal electrodes achieved using ionic liquid electrolytescitations
- 2012Corrosion in amine post combustion capture plants
- 2010The influence of conductive additives and inter-particle voids in carbon EDLC electrodescitations
- 2010In situ NMR Observation of the Formation of Metallic Lithium Microstructures in Lithium Batteriescitations
- 2010Ionic Liquids with the Bis(fluorosulfonyl)imide (FSI) anion: Electrochemical properties and applications in battery technologycitations
Places of action
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article
Sustainable cyanide-C60 fullerene cathode to suppress the lithium polysulfides in a lithium-sulfur battery
Abstract
Lithium-Sulfur batteries (LiSB) have attracted substantial interest because of their high theoretical specific energy and environmental friendliness. However, there is a problem that is known as the lithium polysulfides (LiPs) shuttle effect. Several adsorbents have been proposed experimentally and theoretically to suppress the LiPs shuttle. In particular, the use of adsorbents as a conductive material looks promising as it retains the conductivity of the sulfur cathode. Cyanide has shown very good binding towards metals and carbon materials and its functionalization onto carbon materials could be a promising material to not only facilitate the electrical conductivity required to design a cathode material for LiSB but also can suppress the notorious LiPs shuttle effect. Herein, to prepare a sustainable cathode material, we first investigate the functionalization of cyanide with C60 fullerene using the B3LYP-D density functional calculations. It is found that the cyanide (CN) binds upright on a carbon of the C60 fullerene in the most stable configuration. This sustainable cathode model was then used for an interaction study with the lithium polysulfide species at the level of B3LYP-D3(BJ)/def2-SVP method within acetone as the solvent. Results show that the C60 and C60-CN hybrid molecule can form covalent bonds with the S sites of the LiPs molecules. Finally, it is computationally demonstrated that the C60 fullerene can be used as an adsorbent for the removal of cyanide and the final structure can confine the LiPs species making it a promising carbon-based material for the design of a cathode electrode for use in a LiSB.