An investigation has been made of the interaction of carbon and hydrogen on Ru-V/Al2O3 catalysts. A combination of physicochemical and quantum-chemical methods has been used to study the relationship between the composition of the surface of Ru-V/Al2O3 catalysts and their adsorption and catalytic properties. It was established that ruthenium and vanadium interact on the surface of the support with the formation of cluster structures. The activity and selectivity of the catalysts in Fischer-Tropsch synthesis depend on the nature of the surface clusters. Quantum-chemical methods have been used to examine the mechanism of activation of CO and hydrogen.