The emission of pollutants such as carbon monoxide and nitrogen oxides (NOx) resulting from the combustion of hydrocarbons in automotive engines poses a significant threat to environmental quality. The implementation of catalytic converters, particularly those based on palladium and rhodium, has proven instrumental in mitigating the environmental impact of these emissions. In this investigation, the adsorption energy of NO and CO on the (111) surface of palladium alloyed with 12% rhodium was examined. The calculated adsorption energies for CO and NO on the surface were determined as - 3.28 and -0.6 eV, respectively.

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