Adsorption ability of Ga5N10 nanomaterial for removing metal ions contamination from drinking water by DFT
Yazarlar (2)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Kastamonu Üniversitesi, Türkiye
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Central Tehran Branch, İran
| Makale Türü | Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale) | ||
| Dergi Adı | International Journal of Quantum Chemistry (Q2) | ||
| Dergi ISSN | 0020-7608 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 | 01-2024 |
| Cilt / Sayı / Sayfa | 124 / 2 / – | DOI | 10.1002/qua.27348 |
| Makale Linki | https://doi.org/10.1002/qua.27348 | ||
| UAK Araştırma Alanları |
Fiziksel Kimya
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| Özet |
| The electronic, magnetic, and thermodynamic properties of alkali/alkaline earth metal ion‐adsorbed gallium nitride nanocage (Ga5N10_NC) have been investigated using density functional theory. The results denote that alkali/alkaline earth‐metal ion‐adsorbed Ga5N10_NC systems are stable compounds, with the most stable adsorption site being the center of the cage ring. The partial density of states (PDOS) can estimate a certain charge assembly between Li+, Na+, K+/ Be2+, Mg2+, Ca2+ and Ga5N10_NC which indicate the complex dominant of metallic features as: Ca2+ > Mg2+ > Be2+ >> K+ > Na+ > Li+. For confirmation of magnetic‐alignment of Ga5N10_NC, monovalent (M+) and divalent (M2+) metal ions were added to the sample to measure the effects of metals on the magnetic‐alignment properties of Ga5N10_NC. Furthermore, the reported results of NMR spectroscopy have exhibited that … |
| Anahtar Kelimeler |
| alkali and alkaline earth metal cations | DFT | Ga5N10_NC | water treatment |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 45 |
| Scopus | 64 |
| Google Scholar | 75 |