| Yazarlar (1) |
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Türkiye |
| Özet |
| Abstract: So long as Li-ion batteries (LIBs) have their difficulties, the demand to improve "beyond-lithium" batteries goes beyond the factors of safety and sustainability. With the pressure for renewable energy resources and the enchantingly digitalized current lifestyle, the need for batteries will augment. Therefore, in this article, it has been evaluated the promising alternative alkali metals of "sodium-ion and potassium-ion" batteries. A vast study on H-capture by LiNa[GeO--SiO], LiK[GeO--SiO], LiNa[SnO--SiO], and LiK[SnO--SiO] was carried out including using "DFT" computations at the "CAM--B3LYP--D3/6-311+G(d,p)" level of theory. The hypothesis of the hydrogen adsorption phenomenon was figured out by density distributions of "charge density differences (CDD), total density of states/overlap population density of states (TDOS/OPDOS) and Localized orbital locator (LOL)" for nanoclusters of LiNa[GeO--SiO]--2H |
| Anahtar Kelimeler |
| charge distribution | energy storage | hydrogen adsorption | materials modeling | sodium or potassium battery, density of states |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SCOPUS dergilerinde yayımlanan tam makale |
| Dergi Adı | Russian Journal of Non Ferrous Metals |
| Dergi ISSN | 1067-8212 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCOPUS, SCI-Exp |
| Makale Dili | İngilizce |
| Basım Tarihi | 12-2024 |
| Cilt No | 65 |
| Sayı | 6 |
| Sayfalar | 335 / 350 |
| Doi Numarası | 10.1134/S1067821225600127 |
| Atıf Sayıları |
