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Akademisyenler > Fatemeh MOLLAAMIN > Yayın Detayı

Effect of Rubidium/Cesium Doping on (Lithium, Sodium, Potassium)-Ion Batteries through Germanium Silicon Oxide Anode Materials: An Architectural Design for Energy Storage Devices   
Yazarlar (1)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Türkiye
Devamını Göster
Özet
Abstract: In this work, rubidium and cesium ions are studied as electrolyte additives for lithium-, sodium- or potassium-ion batteries. Therefore, it has been evaluated the promising alternative alkali metals of Rb- or Cs-doped lithium-, sodium-or potassium-ion batteries. A vast study on H-capture by LiRb (GeO--SiO), LiCs(GeO--SiO), NaRb(GeO--SiO), NaCs(GeO--SiO), KRb(GeO--SiO), KCs(GeO--SiO), was carried out including using density functional theory (DFT) computations at the CAM--B3LYP--D3/LANL2DZ,6--311+G(d, p) level of theory. The hypothesis of the hydrogen adsorption phenomenon was figured out by density distributions of CDD, TDOS, LOL for nanoclusters of LiRb(GeO--SiO)--2H2, LiCs(GeO--SiO)--2H2, NaRb(GeO--SiO)--2H2, NaCs(GeO--SiO)--2H2, KRb(GeO--SiO)--2H2, KCs(GeO--SiO)--2H2. As the benefits of lithium, sodium or potassium over Ge/Si possess its higher electron and hole motion, permitting lithium, sodium or potassium devices to operate at higher frequencies than Ge/Si devices. A small portion of Rb or Cs entered the Ge--Si layer to replace the Li, Na or K sites might improve the structural stability of the electrode material at high multiplicity, thereby improving the capacity retention rate. Finally, the results have shown that the cluster of KCs(GeO--SiO), LiCs(GeO--SiO) and NaCs(GeO--SiO) may have the most tensity for electron accepting owing to hydrogen grabbing. Among these, K-ion batteries seem to show the most promise in terms of Rb or Cs doping.
Anahtar Kelimeler
cesium | rubidium | energy storage | density of states | charge distribution | materials modeling | hydrogen adsorption
Makale Türü Özgün Makale
Makale Alt Türü ESCI dergilerinde yayımlanan tam makale
Dergi Adı RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B
Dergi ISSN 1990-7931 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCI-Exp, SCOPUS, CCR Database, Chemistry Server Reaction Center, Curation, Current Contents Physical Chemical & Earth Sciences, Essential Science Indicators, Reaction Citation Index, Reference Master, Sophia
Makale Dili İngilizce
Basım Tarihi 06-2025
Cilt No 19
Sayı 3
Sayfalar 737 / 751
Doi Numarası 10.1134/S1990793125700435
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Effect of Rubidium/Cesium Doping on (Lithium, Sodium, Potassium)-Ion Batteries through Germanium Silicon Oxide Anode Materials: An Architectural Design for Energy Storage Devices

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