Quantum-level investigation of air decomposed pollutants gas sensor (Pd-modified g-C₃N₄) influenced by micro-water...

In the electrical industry, there are many hazardous gases that pollute the environment and even jeopardize human health, so timely detection and effective control of these hazardous gases is of great significance. In this work, the gas-sensitive properties of Pd-modified g-C₃N₄ interface for each hazardous gas molecule were investigated from a microscopic viewpoint, taking the hazardous gases (CO, NO_x) that may be generated in the power industry as the detection target. Then, the performance of Pd-modifiedg-C₃N₄ was evaluated for practical applications as a gas sensor material. Novelly, an unconventional means was designed to briefly predict the effect of humidity on the adsorption properties of this sensor material. The final results found that Pd-modified g-C₃N₄ is most suitable as a potential gas-sensitizing material for NO₂ gas sensors, followed by CO. Interestingly, Pd-modified g-C₃N₄ is less suitable as a potential gas-sensitizing material for NO gas sensors, but has the potential to be used as a NO cleaner (adsorbent). Unconventional simulation explorations of humidity effects show that in practical applications Pd-modified g-C₃N₄ remains a promising material for gas sensing in specific humidity environments. This work reveals the origin of the excellent properties of Pd-modified g-C₃N₄ as a gas sensor material and provides new ideas for the detection and treatment of these three hazardous gases.