Computational Modelling of Boron Nitride Nanosheet for Detecting and Trapping of Water Contaminant
Yazarlar (4)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Kastamonu Üniversitesi, Türkiye
S. Mohammadi
Islamic Azad University, Central Tehran Branch, İran
Islamic Azad University, Central Tehran Branch, İran
Z. Khalaj
Islamic Azad University, Shahr-E Qods Branch, İran
Islamic Azad University, Shahr-E Qods Branch, İran
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 | |||
| Makale Dili | İngilizce | Basım Tarihi | 02-2024 |
| Cilt / Sayı / Sayfa | 18 / 1 / 67–82 | DOI | 10.1134/S1990793124010330 |
| Makale Linki | https://link.springer.com/article/10.1134/S1990793124010330 | ||
| UAK Araştırma Alanları |
Fen Bilimleri ve Matematik
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| Özet |
| Boron nitride (BN) is environment friendly chemical compound extracted from identical numbers of boron (B) and nitrogen (N) atoms. This research wants to evaluate the efficiency of BN nanosheet for removing of water contaminant. The changes of charge density (Q) have shown a more important charge transfer toward BN nanosheet which acts as the electron acceptor while CH3OH, CHBr2, NaOH and NH3 molecules act as the electron donors. Based on nuclear quadrupole resonance analysis, BN nanosheet represent s enough capability for adsorbing CH3OH, CHBr2, NaOH and NH3 through electric potential values of hydrogen, carbon, nitrogen, oxygen, bromine and boron atoms during adsorption of organic molecule (adsorbate) on BN nanosheet (adsorbent). Besides, NMR spectroscopy exhibited the remarkable peaks around carbon, nitrogen, oxygen and bromine atoms through the adsorption procedure … |
| Anahtar Kelimeler |
| BN nanosheet | CH3OH | CHBr2 | DFT | Langmuir adsorption | NaOH | NH3 | water treatment |
| Atıf Sayıları | |
| Web of Science | 39 |
| Scopus | 47 |
| Google Scholar | 51 |