Role of NanoBioSensor of Gallium Phosphide Sheet for Detecting and Removing of Nitric Oxide & Nitrogen Dioxide: Chemisorption Study by DFT Method
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 Letters in Applied Nanobioscience
Dergi ISSN 2284-6808 Scopus Dergi
Dergi Tarandığı Indeksler SCOPUS
Makale Dili İngilizce Basım Tarihi 01-2024
Cilt / Sayı / Sayfa 13 / 2 / – DOI 10.33263/LIANBS132.077
Makale Linki https://nanobioletters.com/wp-content/uploads/2024/07/LIANBS132.077.pdf
UAK Araştırma Alanları
Fen Bilimleri ve Matematik
Özet
The role of the gallium phosphide nanosheet for the adsorption of pollutant gases of nitric oxide and nitrogen dioxide was investigated by applying density functional theory. The fluctuations of charge distributions have demonstrated a more significant charge transfer between graphitic-like gallium phosphide surface (electron acceptor) and gas molecules (electron donors) through the adsorption process. The partial electron density states related to this have illustrated that the nitric oxide and nitrogen dioxide states in the gallium phosphide nanosheet have more of the conduction band, while the developed contribution of P states are near Ga states, but N and O states have minor contributions. Gallium phosphide nanosurface has indicated enough capability for trapping nitric oxide and nitrogen dioxide through charge transfer from N and O atoms to the Ga atoms due to intra-atomic and interatomic interactions.
Anahtar Kelimeler
adsorption system | Eco-friendly method | nanoscience | toxic gas scavenging