CuO-decorated ZnO nanotube-based sensor for detecting CO gas: a first-principles study.

Understanding the effect of copper oxide (CuO)-decorated zinc oxide nanotube on carbon monoxide (CO) adsorption is crucial for designing a high-performance CO gas sensor. In this work, CO sensing properties of copper oxide-decorated zinc oxide (CuO-ZnO) nanotube are studied theoretically by employing first-principles density functional theory for the first time. The stability, adsorption mechanism, density of states, and change in electrical conductivity are studied. The results of calculating the adsorption energy show strong chemical adsorption of CO on CuO-ZnO nanotubes. The adsorption energy of CO on CuO-ZnO nanotube is calculated as 7.5 times higher than that on ZnO nanotube. The results of the Mulliken charge analysis reveal that electron transfer occurs from CO molecules to CuO-ZnO nanotubes. Additionally, the electrical conductivity of CuO-ZnO nanotubes significantly changes after adsorption of CO at room temperature. According to these studies, CuO-ZnO nanotube sensors can be used for the detection of CO gas. The results are in excellent agreement with the reported experimental results.

High-performance chemiresistor-type NH3 gas sensor based on three-dimensional reduced graphene oxide/polyaniline hybrid.

In this study, a novel gas sensor is proposed based on a three-dimensional reduced graphene oxide/polyaniline (3D RGO/PANI) hybrid, which is synthesized by a hydrothermal method for detecting NH3 gas at room temperature. The 3D RGO/PANI hybrid is characterized by field emission-scanning electron microscopy, Fourier transform infrared and x-ray diffraction. The specific surface area is analyzed using the Brunauer-Emmett-Teller (BET) equation. The as-synthesized sensing materials with an appropriate amount of polyaniline nanowires (PANI-NWs) can effectively prevent aggregation of the neighboring graphene sheets and directly act as adsorption sites for NH3 molecules. In comparison with its pure 3D RGO counterpart, the 3D RGO/PANI (1:1) hybrid exhibits 44.7 times enhanced response to 100 ppm NH3, suggesting the remarkable effect of PANI-NWs in improving the sensitivity. This work gives new insights into boosting the sensitivity and selectivity of detecting NH3 gas by incorporating PANI-NWs into 3D RGO.