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DC Field | Value | Language |
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dc.contributor.advisor | محمدي، لزهر | - |
dc.contributor.advisor | شعيب، هجيرة | - |
dc.contributor.author | ربـــــــــــوح، حـــــــــــــــدي | - |
dc.date.accessioned | 2023-07-09T11:22:12Z | - |
dc.date.available | 2023-07-09T11:22:12Z | - |
dc.date.issued | 2023 | - |
dc.identifier.uri | https://dspace.univ-ouargla.dz/jspui/handle/123456789/33493 | - |
dc.description | فيــــــــــــــزياء المـــــــــــــــــواد | en_US |
dc.description.abstract | Using the full potential linearized augmented plane wave method FP-LAPW and the approximation of density functional theory DFT, we investigated the effect of atomic substitution of lithium by potassium in LiH_225 crystal in order to improve hydrogen mobility. The results show that hydrogen kinetics in Li3KH4 is faster and easier than that in Li4H4. Atomic substitution also showed a strong covalent bond between potassium and hydrogen, which resulted in a decrease in the effect of ionic bonds between lithium and hydrogen atoms. The structure of the energy band showed that each of the hydride Li4H4 and the hydride Li3KH4 have insulating character | en_US |
dc.description.abstract | En utilisant la méthode des ondes planes linearisées et augmentées du potentiel complet FP -LAPW et l’approximation de la théorie fonctionnelle de la densité DFT, on a étudié l'effet de la substitution atomique du lithium par du potassium dans le cristal LiH_225 afin d'améliorer la mobilité de l'hydrogène. Les résultats montrent que la cinétique de l'hydrogène dans Li3KH4 est plus rapide et plus facile que celle dans Li4H4. La substitution atomique a également montré une forte liaison covalente entre le potassium et l'hydrogène, ce qui a entraîné une diminution de l'effet des liaisons ioniques entre les atomes de lithium et d'hydrogène. La structure de la bande d'énergie a montré que chacun de l'hydrure Li4H4 et de l'hydrure Li3KH4 possède un caractère isolant. | - |
dc.publisher | جامعة قاصدي مرباح ورقلة | en_US |
dc.subject | الهيدريد LiH_225 | en_US |
dc.subject | الإستبدال الذري | en_US |
dc.subject | طاقة التشكل | en_US |
dc.subject | تخزين الهيدروجين | en_US |
dc.subject | FP-LAPW | en_US |
dc.subject | DFT | en_US |
dc.subject | Substitution atomique | en_US |
dc.subject | Energie de formation | en_US |
dc.subject | Stockage de l’hydrogène | en_US |
dc.subject | Atomic substitution | en_US |
dc.subject | Formation energy | en_US |
dc.subject | Hydrogen storage | en_US |
dc.title | K بواسطـــــة الاستبـــــدال الـــــذري ب البوتاسيوم LiH_225 تحسيــــن حركيـــــــة تخزيـــــــن الهيدروجيـــــــن في بلــــورة | en_US |
dc.type | Thesis | en_US |
Appears in Collections: | département de physique - Master |
Files in This Item:
File | Description | Size | Format | |
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Rebbou- Haddi.pdf | 2,96 MB | Adobe PDF | View/Open |
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