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Akademisyenler > Fatemeh MOLLAAMIN > Yayın Detayı

DOPING CHROMIUM ON THE SILICON CARBIDE NANOSURFACE FOR GRABBING CO2, CO, NO2 OR NO: APPLICATION OF NANOMATERIALS TOWARD CLEAN AIR  
Yazarlar (1)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Türkiye
Devamını Göster
Özet
DThermochemical, electric, and magnetic properties of chromium (Cr) metal-doped graphene-like silicon carbide (SiC) monolayer sheet are studied by the first-principles methods based on the density functional theory (DFT) for scavenging of CO, CO2, NO, NO2 gas molecules. The results recommend that the adsorption of these gas molecules on Cr-embedded SiC sheet monolayer is more energetically desired than that on the pristine ones. Gas molecules of CO, CO2, NO, and NO2 have been adsorbed on the Cr site of doped SiC monolayer through the formation of covalent bonds. The assumption of chemical adsorptions has been approved by the projected density of states (PDOS) and charge density difference plots. Charge density difference calculations also indicate that the electronic densities were mainly accumulated on the adsorbate of CO, CO2, NO, and NO2 gas molecules. The results in this investigation can indicate the competence of transition metal-doped silicon carbide nanosheet in sensor devices.
Anahtar Kelimeler
DFT | gas sensor | GM@ Cr − SiC_sh | SiC
Makale Türü Özgün Makale
Makale Alt Türü SCOPUS dergilerinde yayımlanan tam makale
Dergi Adı Revista De La Facultad De Ciencias
Dergi ISSN 0121-747X Scopus Dergi
Dergi Tarandığı Indeksler SCOPUS
Makale Dili İngilizce
Basım Tarihi 01-2025
Cilt No 14
Sayı 2
Sayfalar 108 / 125
Doi Numarası 10.15446/rev.fac.cienc.v14n2.113729
Makale Linki https://revistas.unal.edu.co/index.php/rfc/article/view/113729
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
DOPING CHROMIUM ON THE SILICON CARBIDE NANOSURFACE FOR GRABBING CO2, CO, NO2 OR NO: APPLICATION OF NANOMATERIALS TOWARD CLEAN AIR

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