Modeling and simulation of molecular armchair graphene nanoribbons as a gas detector

Abstract

Optical detectors are essential for gas detection using optical technology. This study introduces an armchair graphene nanoribbon (AGNR) molecular optical gas detector with two conjugated molecular elements and a non-conjugated interface for gas detection using optical technology. The detector absorbs light and generates peaks in the current-voltage curve that correspond to gas concentration and the Raman frequency spectrum. The detector exhibits negative resistances controlled by input light frequency, suitable for high-frequency oscillators. Multiple gases can be simultaneously identified and monitored using the detector. The detector was analyzed using the non-equilibrium Green function method and offers high-speed, accurate selectivity, precise gas detection, and reproducibility with multiple electrical outputs.