img
img
img

Akademisyenler > Fatemeh MOLLAAMIN > Yayın Detayı

Scavenging of Heavy Metal Ions (Cr3+, Mn2+, Co2+, Ni2+, Cu2+, Zn2+) from Water by GaN Nanomaterial: An Environmental Eco-friendly System by Molecular Modelling Approach  
Yazarlar (1)
Dr. Öğr. Üyesi Fatemeh MOLLAAMIN Dr. Öğr. Üyesi Fatemeh MOLLAAMIN
Kastamonu Üniversitesi, Türkiye
Devamını Göster
Özet
Removal of heavy metal cations of Cr3+, Mn2+, Co2+, Ni2+, Cu2+, Zn2+ from simulated water due to nanomaterial-based gallium nitride nanocage (Ga5N10Nc) is the target of this research. Ga5N10Nc was modeled in the presence of heavy metal cations (Cr3+, Mn2+, Co2+, Ni2+, Cu2+, Zn2+). The essence of covalent traits for these composites displays the equivalent energy and visibility of the partial density of states (PDOS) for the p states of nitrogen and d states of heavy metal ions of Cr3+, Mn2+, Co2+, Ni2+, Cu2+, Zn2+ through water treatment. In other words, the chemical amendment twists the covalent bonding of functional groups on the backbone of the hybrid composite of gallium nitride towards a striking enhancement in the adsorption capacity parameter. In addition, the nuclear magnetic resonance (NMR) analysis suggested the substantial peaks surrounding metal ions of Cr3+, Mn2+, Co2+, Ni2+, Cu2+, and Zn2+ on the hybrid composite of gallium nitride during ion deletion from water. On the other hand, the selectivity of metal ion adsorption by a byhybrid composite of gallium nitride has been authorized as: Ni2+˃˃˃ Cu2+ ˃ Co2+˃ Mn2+ ˃ Cr3+ ˃˃ Zn2+. In this research, it is suggested that heavy metal ions adsorbed can be applied to amplify the optoelectronic properties of gallium nitride, which can be used to develop photoelectric instruments for water purification.
Anahtar Kelimeler
adsorption | DFT | Ga5N10Nc | heavy metal remediation | molecular modeling | nanomaterial | water contaminant
Makale Türü Açık Erişim Özgün Makale
Makale Alt Türü SCOPUS dergilerinde yayınlanan tam makale
Dergi Adı Biointerface Research in Applied Chemistry
Dergi ISSN 2069-5837 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler SCOPUS
Makale Dili İngilizce
Basım Tarihi 10-2025
Cilt No 15
Sayı 5
Sayfalar 62 / 0
Doi Numarası 10.33263/BRIAC155.062
BM Sürdürülebilir Kalkınma Amaçları
Atıf Sayıları
Scavenging of Heavy Metal Ions (Cr3+, Mn2+, Co2+, Ni2+, Cu2+, Zn2+) from Water by GaN Nanomaterial: An Environmental Eco-friendly System by Molecular Modelling Approach

Paylaş