HEXAGONAL HONEYCOMB PL-GaN NANOSHEET AS ADSORBENT SURFACE FOR GAS MOLECULES SENSING: A QUANTUM CHEMICAL 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 | Surface Review and Letters (Q4) | ||
| Dergi ISSN | 0218-625X Wos Dergi Scopus Dergi | ||
| Makale Dili | İngilizce | Basım Tarihi | 01-2024 |
| Cilt / Sayı / Sayfa | 31 / 1 / 2450005–0 | DOI | 10.1142/S0218625X24500057 |
| Makale Linki | https://www.worldscientific.com/doi/abs/10.1142/S0218625X24500057 | ||
| UAK Araştırma Alanları |
Fen Bilimleri ve Matematik
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| Özet |
| Regarding two-dimensional (2D) nanomaterials as gas sensors, we have studied the adsorption of gas molecules (NH3, NO2, NO) on the graphitic GaN sheet (PL-GaN) using density functional theory calculations. “Langmuir” adsorption of gas molecules of NH3, NO2, and NO on the graphitic GaN sheet has been accomplished using density functional theory. The changes in charge density have shown a more important charge transfer on the hexagonal honeycomb nanosheet of gallium nitride (GaN) which acts as the electron acceptor while gas molecules act as the stronger electron donors through adsorption on the graphitic-like GaN surface. The adsorption of NH3, NO and NO, respectively, on GaN nanosheet has more contribution with high expansion curves of hydrogen, nitrogen and oxygen. The results extracted from PDOS curves after optimization show the electron transferring from nitrogen and oxygen of … |
| Anahtar Kelimeler |
| Adsorption | GaN | gas removal | NH3 | NO | NO2 |
BM Sürdürülebilir Kalkınma Amaçları
| Atıf Sayıları | |
| Web of Science | 2 |
| Scopus | 2 |
| Google Scholar | 4 |