Direct catalytic decomposition of NOx to N2 and O2 in the presence of excess O2 would eliminate the need for reducing species in automobile engine exhaust streams, allowing these engines to be run more efficiently. We have been investigating the potential of ferroelectric supports to modify the behavior of supported layers to enable direct NOx decomposition. Our approach involves first principles density functional theory and surface science techniques. Using both approaches we have investigated the interactions of N, O, and NO with bare ferroelectric lead titanate surfaces and surfaces modified to expose catalytic layers, in particular Ru oxides. Theory indicates that the behavior of the PbTiO3 surface towards these species is sensitive to the polarization direction and termination of the ferroelectric and that stable RuO2-terminated surfaces can be created by manipulating the termination of the substrate. Favored reaction pathways are assessed using theory and temperature programmed desorption and related methods.

Manipulating ferroelectric surfaces for direct NO<sub>x</sub> decomposition

244th National Meeting (2012)

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Manipulating ferroelectric surfaces for direct NOx decomposition

Manipulating ferroelectric surfaces for direct NO_x decomposition