Selectivity and Sensitivity Evaluation of Embedded BN-Nanostructure as a Gas Detector for Air Pollution Scavenging: a Theoretical Study
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 / 1177–1198 | DOI | 10.1134/S1990793124700507 |
| Makale Linki | https://link.springer.com/article/10.1134/S1990793124700507 | ||
| UAK Araştırma Alanları |
Fen Bilimleri ve Matematik
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| Özet |
| This article aims to investigate the structural, electromagnetic, and thermodynamic properties of toxic gases molecules including nitric oxide (NO), nitrogen oxide (NO2), and nitrous oxide (N2O) during adsorption on the surface of boron nitride (B5N10) nanocage which has been decorated with aluminum (Al), carbon (C) and silicon(Si) atoms. The results denote that (NO,NO2,N2O) ↔ (Al, C, Si)–B4N10 are stable complexes with the most stable adsorption site being the center of the cage ring. The partial density of states can estimate a certain charge assembly between gas molecules and (Al, C, Si)–B4N10 which indicates the competition among dominant complexes of metallic (Al), nonmetallic (C), metalloid/semiconductor (Si). Based on nuclear quadrupole resonance analysis, carbon-doped on B4N10 has shown the lowest fluctuation in electric potential and the highest negative atomic charge including 0.1190, 0 … |
| Anahtar Kelimeler |
| boron nitride | gas sensor | materials modelling | nanomaterial |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 18 |
| Scopus | 24 |
| Google Scholar | 24 |