Capturing and Sensing the Toxic Volatile Pollutants SO₂, NO₂, and O₃ From Fireworks Using Modified Graphene Oxide – Insights from First Principle Calculations

Advanced Theory and Simulations, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 7, 2025

Abstract Despite the captivating and colorful fireworks displays in sky, their immediate emissions significantly contribute to airborne pollutants troposphere, particularly trace metals carbonaceous species size‐segregated aerosols. These release harmful gases like SO 2 , NO O 3 which pose serious health risks. Therefore, tracing trapping these toxic volatile (TVPs) is crucial for addressing air pollution concerns. Graphene oxide (GO), known its advanced sensing capabilities, an ideal material due oxygen functional groups, hydroxyl (─OH) epoxy groups (─O), enhance adsorption properties. This study investigates behavior of ─O ─OH functionalized GO toward common TVPs found (SO ) from a computational perspective. The most stable orientation with high energy has been determined through surface stability electronic property analyses. Further investigation into charge density transfer, electrical conductivity, recovery time provides deeper insights material's effectiveness. research emphasizes importance removal during festival emissions, highlighting potential improving quality control such events.

Language: Английский

Capturing and Sensing the Toxic Volatile Pollutants So2, No2 and O3 from Firecrackers Using Modified Graphene Oxide - Insights from First Principle Calculations

Published: Jan. 1, 2024

Language: Английский