Effect of Implanted Titanium, Vanadium or Chromium on Boron Nitride Surface for Increasing Carbon Monoxide Adsorption: Designing Gas Sensor for Green Chemistry Future
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 | 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 | 08-2024 |
| Cilt / Sayı / Sayfa | 18 / 4 / 1199–1216 | DOI | 10.1134/S1990793124700519 |
| Makale Linki | https://link.springer.com/article/10.1134/S1990793124700519 | ||
| UAK Araştırma Alanları |
Fen Bilimleri ve Matematik
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| Özet |
| Adsorption of toxic gas of carbon monoxide (CO) molecules by using transition metals (TM) of titanium (Ti), vanadium (V) or chromium (Cr)-doped boron nitride (B5N10) nanocage have been investigated using density functional theory. The partial density of states can evaluate a determined charge assembly between gas molecules and TM–B4N10 which indicates the competition among dominant complexes of Ti, V, Cr. Based on nuclear quadrupole resonance analysis, TM-doped on B5N10 has shown the lowest fluctuation in electric potential and the highest negative atomic charge including 0.5883 (chromium), 0.6893 (vanadium) and 0.7499 coulomb (titanium), respectively, have presented the most tendency for being the electron acceptors. Furthermore, the reported results of nuclear magnetic resonance spectroscopy have exhibited that the yield of electron accepting for doping atoms on the TM–B4N10 through … |
| Anahtar Kelimeler |
| density functional theory | gas detection | nanomaterials | transition metals |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 17 |
| Scopus | 22 |
| Google Scholar | 22 |