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Optimization of SMOX-materials for gas sensing applications by numerical simulations

In the field of semiconductor gas sensor research materials belonging to a broad spectrum are developed and investigated. The approach for performance increase, especially the selectivity to specific target gases, is often the surface modification in order to promote specific chemical interactions. Here, we will show how a modification of the semiconductor itself may be used to increase the sensing performance. The electrical and geometrical properties of the transducer are numerically evaluated for different sensing scenarios and the optimized conditions, in terms of grain size and defect concentration, are revealed. By correlating the target gas concentration with the numerical solutions of the Poisson equation, the conduction path through the transducer, the resulting surface coverage of the semiconductor and the optimal surface to volume ratio for a specific material may be estimated.