Electric and Magnetic Evaluation of Aluminum--Magnesium Nanoalloy Decorated with Germanium Through Heterocyclic Carbenes Adsorption: A Density Functional Theory 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 (Q4) | ||
| 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 | 06-2023 |
| Cilt / Sayı / Sayfa | 17 / 3 / 658–672 | DOI | 10.1134/S1990793123030223 |
| Makale Linki | https://link.springer.com/article/10.1134/S1990793123030223 | ||
| UAK Araştırma Alanları |
Fen Bilimleri ve Matematik
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| Özet |
| Heterocyclic compounds with multiple bonds and heteroatoms of nitrogen, oxygen and sulfur can be notable as corrosion inhibitors for metal surfaces. In this work, Ge-doped Al–Mg nanoalloy has been investigated based on Langmuir adsorption and density functional theorey method (DFT) method. The partial electron density states (PDOS) have confirmed an obvious charge accumulation between the Al–Mg alloy and doped atom of Ge through the recognition of the conduction band region. The infrared (IR) spectrums for complexes of inhibitors adorbed on Ge-doped Al–Mg alloy have been reported in the frequency between 500–3500 cm–1 for (benzotriazole/2-mercaptobenzothiazole/8-hydroxyquinoline) → Al–Mg–Ge, and around 500–4000 cm–1 for 3-amino-1,2,4-triazole-5-thiol → Al–Mg–Ge with the sharpest peak approximately around 2000 cm–1, 3000 cm–1 for (benzotriazole/2-mercaptobenzothiazole/8 … |
| Anahtar Kelimeler |
| 2-mercaptobenzothiazole | 3-amino-1,2,4-triazole-5-thiol | 8-hydroxyquinoline | Al–Mg–Ge | benzotriazole | DFT | Langmuir adsorption |
| Atıf Sayıları | |
| Web of Science | 43 |
| Scopus | 66 |
| Google Scholar | 65 |