Förbättrad detekterbarhet och selektivitet hos elektroniska gassensorer genom kvantkemiska beräkningar
Tidsperiod: 2013-01-01 till 2016-12-31
Projektledare: Peter Broqvist
Budget: 3 435 000 SEK
Field effect gas sensors have been shown to be very efficient for the detection of hydrogen containing molecules. With the right material combination in terms of catalytic metal contact and gate dielectric, a field effect sensor can be tuned to be selective towards a variety of different molecules. In this project, I will study the metal-insulator-SiC-field-effect-transistor sensor using palladium or iridium as catalytic metal electrode and silicon dioxide as insulator. Such devices are commercialized to be used in the control of selective catalytic reduction of nitrogen oxides from diesel exhausts with ammonia. This is a technologically important application where the selectivity and sensitivity needs to be improved to avoid ammonia slip to the surrounding environment. In this research, I want to explore the chemistry of such sensor devices using atomic scale simulations within a multi-scale approach with the goal of defining material characteristics that improves their functionality in terms of sensitivity and selectivity.