Evaluation of Molecular Structure and Physico-chemical Properties of Boron Nitride Nanomaterial for Capturing Transition Metals (Chromium, Manganese, Iron, Zinc, Tungsten or Cadmium): a Theoretical 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
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 01-2025
Cilt / Sayı / Sayfa 19 / 1 / 200–216 DOI 10.1134/S1990793124701665
Makale Linki https://link.springer.com/article/10.1134/S1990793124701665
UAK Araştırma Alanları
Fen Bilimleri ve Matematik
Özet
Soil pollution caused by potentially toxic transition metals has become a worldwide environmental issue. Geogenic processes and anthropogenic activities are two important sources of soil pollution. Soils may inherit toxic transition metals from parent materials; however, soil pollution mostly results from industrial and agricultural activities. Contamination by transition metals can be indicated by the changes in chemical, biochemical, and microbial properties of soils and plant responses. The target of this research is removing transition metals of chromium (Cr), manganese (Mn), iron (Fe), zinc (Zn), tungsten (W), cadmium (Cd) from soil due to nanomaterial-based boron nitride nanocage (B5N10-nc). The electromagnetic and thermodynamic attributes of toxic transition metals trapped in B5N10-nc was depicted by materials modeling. The encapsulation of these elements occurs via chemisorption. It has been studied the …
Anahtar Kelimeler
B5N10-nc | DFT | molecular modeling | nanomaterial | soil contamination