Environ Sci Pollut Res Int
September 2024
Air pollutants generated from volatile toxic chemicals pose significant public health concerns. Density functional theory (DFT) computations were used in this research to explore the efficiency and mechanism of harmful gas sensing over the reduced graphene oxide-polypyrrole (rGO-PPy) composite. Volatile molecule sensing was investigated for the NH, HCO, CHOH, and CHOH gas molecules over three PPy orientations on the rGO substrate.
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