| Summary: | The objective of our work is to provide an advantage for designing new, more efficient sensors using undoped ZnO nanowires. Nanostructures based on ZnO have demonstrated improved sensor performance, thanks to their excellent chemical and thermal stability, as evidenced by their high melting temperature. We have utilized the Schottky defect model to simulate the behavior of free carriers in ZnO semiconductors. Additionally, we have investigated the theoretical model of oxygen molecule adsorption and desorption. Furthermore, we have examined the adsorption of reducing gases, with acetone gas being used as an example. By employing the Comsol software, we have discovered that the solid–gas interaction is significantly reduced at a temperature of 295 °C for ZnO nanowires compared to bulk ZnO, which typically requires a temperature of 500 °C. This reduction can be attributed to the predominant behavior of the side surfaces (101<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mover><mrow><mo> </mo><mn>0</mn></mrow><mo>−</mo></mover></mrow></semantics></math></inline-formula>) in ZnO nanostructures, as well as the lower activation energy of these surfaces compared to the (0002) surfaces. These ZnO nanowire nanostructures provide numerous active and thermodynamically favorable surfaces for the adsorption of reducing gases. The simulation method using Comsol is one of the means to achieve improved design and offer optimal device operation.
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