Detection of nitro-aromatics using C<sub>5</sub>N<sub>2</sub> as an electrochemical sensor: a DFT approach
Nabeela, Muhammad Alı Hashmı, Ahmad Nauman Shah Saqib, Aqsa Kamran, Ahmed Lakhani
Abstract
Nitroaromatics are hazardous pollutants. This study investigates C 5 N 2 as a sensor for 1,3-DNB, TNT, and picric acid using DFT. Picric acid exhibited the strongest interaction, indicating C 5 N 2 's potential as a selective sensor for nitroaromatics.
Topics & Concepts
NitroElectrochemistryElectrochemical gas sensorChemistryMaterials scienceAnalytical Chemistry (journal)Physical chemistryEnvironmental chemistryOrganic chemistryElectrodeAlkylAdvanced Chemical Sensor TechnologiesGas Sensing Nanomaterials and SensorsMolecular Sensors and Ion Detection