Numerical model for the chemical adsorption of oxygen and reducing gas molecules in presence of humidity on the surface of semiconductor metal oxide for gas sensors applications

Abstract

Charge transfer between the interacting gas molecules and the surface of the sensing layer is the main mechanism for the detection of gases in semiconductor metal oxides. In the presented work, the Wolkenstein's theory of adsorption is used instead of the conventional Langmuir isotherm for the numerical modelling of adsorption of oxygen, reducing gas (CO) molecules and water vapours. A numerical model of chemical adsorption of these gas species at the surface of tin oxide (SnO2) semiconductor gas sensor is presented in this paper. Using this model, quantitative calculation of the combined effect of environmental oxygen, reducing gas(CO) and water vapor adsorption on various electronic properties like electrical conductivity, surface potential and the work function of the metal oxide surface has been carried out. The surface coverage of the chemically adsorbed oxygen gas molecules is simulated as a function of oxygen gas pressure, the temperature of the sensor surface and bulk doping level of the n-type SnO2 semiconductor. Along with oxygen, the adsorption of CO gas is simulated as a function of CO gas pressure at constant atmospheric pressure of Oxygen gas. Furthermore, the sensor response is simulated and compared both in presence of dry Carbon Monoxide (CO) gas as well in the humid environment. It is shown that in the presence of water vapor there is an increase in the conductivity due to the decrease in the surface potential barrier at the semiconductor surface.