Probing Ti--doped (Al--Ga) surface as Nanosensor for adsorbing the S-& N-containing heterocyclic compounds
Yazarlar (2)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Kastamonu Üniversitesi, Türkiye
Prof. Dr. Majıd MONAJJEMI Islamic Azad University, Central Tehran Branch, İran
Makale Türü Açık Erişim Özgün Makale (SCOPUS dergilerinde yayınlanan tam makale)
Dergi Adı Applied Chemical Engineering
Dergi ISSN 2578-2010 Scopus Dergi
Makale Dili İngilizce Basım Tarihi 01-2024
Kabul Tarihi 12-04-2026 Yayınlanma Tarihi
Cilt / Sayı / Sayfa 7 / 1 / – DOI 10.24294/ace.v7i1.2236
Özet
Aluminum–Gallium doped with titanium by using ONIOM method through structural, electrical, and thermodynamic properties was studied in detail. Crystal structure of Ti–(Al–Ga) surface was coated by S- & N-heterocyclic carbenes of benzotriazole (BTA), 2-mercaptobenzothiazole (2MBT), 8-hydroxyquinoline (8HQ) and 3-amino-1,2,4-triazole-5-thiol (ATR). T...
Anahtar Kelimeler
(S- & N-heterocycles) @(Ti–Al–Ga) complexes | BTA, 2MBT, 8HQ, ATR | CAMB3LYP/EPR-III, LANL2DZ,6-31+G(d,p) | DFT | Langmuir adsorption