Ethanol Sensing Properties and First Principles Study of Au Supported on Mesoporous ZnO Derived from Metal Organic...

It is of great significance to develop ethanol sensors with high sensitivity and low detection temperature. Hence, we prepared Au-supported material on mesoporous ZnO composites derived from a metal-organic framework ZIF-8 for the detection of ethanol gas. The obtained Au/ZnO materials were characterized by X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), field emission scanning electron microscopy (SEM), field emission transmission electron microscopy (TEM) and nitrogen adsorption and desorption isotherms. The results showed that the Au/ZnO-1.0 sample maintains a three-dimensional (3D) dodecahedron structure with a larger specific surface area (22.79 m² g^-1) and has more oxygen vacancies. Because of the unique ZIF structure, abundant surface defects and the formation of Au-ZnO Schottky junctions, an Au/ZnO-1.0 sensor has a response factor of 37.74 for 100 ppm ethanol at 250 °C, which is about 6 times that of pure ZnO material. In addition, the Au/ZnO-1.0 sensor has good selectivity for ethanol. According to density functional theory (DFT) calculations, the adsorption energy of Au/ZnO for ethanol (-1.813 eV) is significantly greater than that of pure ZnO (-0.217 eV). Furthermore, the adsorption energy for ethanol is greater than that of other gases.