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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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Ngoepe, Phuti
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Publications (4/4 displayed)
- 2023Structural properties of P2 and O2-type layered lithium manganese oxides as potential coating materials
- 2021Computational modelling studies on discharge of nanoporous LiMn2O4
- 2019Simulated studies of Li-Mn-O hetersotructured nanoparticles on lithiation
- 2018Modeling Diffusion-Induced Stress In Li-Mn-O Nanocomposite Cathode Materials
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document
Modeling Diffusion-Induced Stress In Li-Mn-O Nanocomposite Cathode Materials
Abstract
We employ molecular dynamics methods to simulate spontaneously growth, visualize and characterize the evolution of mechanical degradation in layered-spinel Li-Mn-O composite electrode materials, applicable in next-generation application in high energy density lithium ion batteries. When compressive stress was imposed on the nanoporous and bulk materials, the composite nanoporous revealed structural resilience enable by flexing of the pore. This allows it to mitigate the effect of stress by expanding or contracting into the void/channel space of the material, whilst diffusion paths within the bulk were vastly blocked by tetrahedral manganese (Mn<SUP>2+</SUP>) due to structural collapse induced by diffusion. The stress-strain curves depicted yield stress of 11.35 GPa for bulk whilst nanoporous materials experienced lower stress of 4.32 GPa when subjected to equivalent strain....