DESIGNING NOVEL NANOMATERIALS FOR Li-ION BATTERIES: A PHYSICO-CHEMICAL STUDY THROUGH HYDROGEN-POWERED HORIZONS
Yazarlar (2)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Kastamonu Üniversitesi, Türkiye
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Central Tehran Branch, İran
Makale Türü Açık Erişim Özgün Makale (ESCI dergilerinde yayınlanan tam makale)
Dergi Adı New Materials Compounds and Applications
Dergi ISSN 2521-7194 Wos Dergi Scopus Dergi
Makale Dili İngilizce Basım Tarihi 01-2024
Cilt / Sayı / Sayfa 8 / 3 / 303–323 DOI 10.62476/nmca83303
Özet
This research work intends to represent a comprehensive investigation on hydrogen grabbing by Si5O10–Ge5O10 was carried out including using density functional theory (DFT) computations. The data represents that if silicon elements are replaced by germanium, the H-grabbing energy will be ameliorated. Electromagnetic and thermodynamic properties of Si5O10–Ge5O10, Li2[Si5O10–Ge5O10] and nanoclusters have been evaluated. The hypothesis of the hydrogen adsorption phenomenon was confirmed by density distributions of charge density differences (CDD), total density of states (TDOS) and localized orbital locator (LOL) for hydrated nanoclusters of H2[Si5O10–Ge5O10] and Li2H 4[Si5O 10– Ge5O10]. The fluctuation in charge density values demonstrates that the electronic densities were mainly located in the boundary of adsorbate/adsorbent atoms during the adsorption status. Therefore, by combination of Si5O10 and Ge5O10, it can be concluded that Si5O10–Ge5O10 nanocluster might be appropriate candidate for hydrogen storage in transistors. The fluctuation in charge density values demonstrates that the electronic densities were mainly located in the boundary of adsorbate/adsorbent atoms during the adsorption status. As the advantages of lithium over Si/Ge possess its higher electron and hole motion, allowing lithium instruments to operate at higher frequencies than Si/Ge instruments.
Anahtar Kelimeler
DFT | hydrogen storage | Li2[Si5O10-Ge5O10] | Lithium battery | Si5O10-Ge5O10
Pdf İndir
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Web of Science 10
Scopus 20
DESIGNING NOVEL NANOMATERIALS FOR Li-ION BATTERIES: A PHYSICO-CHEMICAL STUDY THROUGH HYDROGEN-POWERED HORIZONS

Paylaş

İletişim
  • Kastamonu Üniversitesi Rektörlüğü, Kuzeykent Kampüsü, Merkez/Kastamonu
  • unis@kastamonu.edu.tr 03662801000
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