| Yazarlar (2) |
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Kastamonu University, Türkiye |
Majid Monajjemi
Islamic Azad University, Central Tehran Branch, İran |
| Özet |
| Purpose: The purpose of this paper is to investigate the ability of transition metals (TMs) of iron-, nickel- and zinc-doped graphene nanosheet for adsorption of toxic gas of nitric oxide (NO). The results of this paper have provided a favorable understanding of the interaction between TM-doped graphene nanosheet and NO molecule. Design/methodology/approach: A high performance of TM-doped graphene nanosheet as a gas sensor is demonstrated by modeling the material's transport characteristics by means of the Langmuir adsorption and three-layered ONIOM/ density functional theory method. The Langmuir adsorption model has been done with a three-layered ONIOM using CAM-B3LYP functional and LANL2DZ and 6--311G (d, p) basis sets by Gaussian 16 revision C.01 program towards the formation of of NO→TM(Mn, Co, Cu)-doped on the Gr nanosheet. Findings: The changes of charge density for Langmuir adsorption of NO on Mn-, Co- and Cu-doped graphene nanosheet orderly have been achieved as: ΔQ |
| Anahtar Kelimeler |
| (Mn | Co | Cu)-doped graphene nanosheet | Gas sensor | Langmuir adsorption | NO toxic gas | ONIOM/DFT | Removal detector |
| Makale Türü | Özgün Makale |
| Makale Alt Türü | SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale |
| Dergi Adı | Sensor Review |
| Dergi ISSN | 0260-2288 Wos Dergi Scopus Dergi |
| Dergi Tarandığı Indeksler | SCI-Exp, SCOPUS, Curation, Current Contents Engineering Computing & Technology, Essential Science Indicators, Reference Master, Sophia |
| Dergi Grubu | Q3 |
| Makale Dili | İngilizce |
| Basım Tarihi | 09-2023 |
| Cilt No | 43 |
| Sayı | 4 |
| Sayfalar | 266 / 279 |
| Doi Numarası | 10.1108/SR-03-2023-0040 |
| Atıf Sayıları | |
| WoS | 37 |
| SCOPUS | 54 |
| Google Scholar | 53 |
