Model theoretical and experimental studies for dry methane refoming

Dry reforming of methane (DMR) is the process in which two important greenhouse gases (CO2, CH4) react one with another over a catalyst to yield synthesis gas (a mixture of CO and H2), which can be readily converted to fuels and chemicals. Nickel-based catalysts offer the best compromise for DMR, combining high activity with relatively low cost as compared to noble metals. Their main drawback lies, however, in heavy coking and active phase sintering causing fast deactivation under operating conditions. In the current proposal we plan to investigate supported bimetallic NiM systems (M = Cu, Fe) both by experimental and theoretical approaches to elucidate factors that enhance the formation of the carbon deposit. Two types of catalysts will be synthesized: powder-supported NiM catalysts for fast, initial screening of the given composition followed by the synthesis of the very precise model system in which NiM clusters of definite size will be deposited on the flat surfaces. The latter will serve as the reference models for the computational studies, which we plan to investigate.