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Articles by Robert Stepic
Cu carbonyls enhance the performance of Ru-based SILP water-gas shift catalysts: A combined in-situ DRIFTS and DFT study
Cu carbonyls enhance the performance of Ru-based SILP water-gas shift catalysts: A combined in-situ DRIFTS and DFT study Dominik Blaumeiser, Robert Stepic, Patrick Wolf, Christian Wick, Marco Haumann, Peter Wasserscheid, David Matthew Smith, Ana-Suncana Smith, Tanja Bauer and Joerg Libuda Abstract Ru-based supported ionic liquid phase (SILP) catalysts efficiently promote the water-gas shift reaction (WGSR). The addition of CuCl further improves the performance.
Mechanism of the Water‐Gas Shift Reaction Catalyzed by Efficient Ruthenium Based Catalysts
Supported ionic liquid phase (SILP) catalysis enables a highly efficient, Ru‐based, homogeneously catalyzed water‐gas shift reaction (WGSR) between 100°C and 150°C. The active Ru‐complexes have been found to exist in imidazolium chloride melts under operating conditions in a dynamic equilibrium, which is dominated by the [Ru(CO)3Cl3]‐ complex. We here present state‐of‐the‐art theoretical calculations to elucidate the reaction mechanism in more detail.
Dynamic Equilibria in Supported Ionic Liquid Phase (SILP) Catalysis: In-Situ IR Spectroscopy Identifies [Ru(CO)xCly]n Species in Water Gas Shift Catalysis - Catalysis Science & Technology (RSC Publishing)
Ru-based supported ionic liquid phase (SILP) systems efficiently catalyze the low-temperature water-gas shift reaction (WGSR). While previous studies suggest that Ru-carbonyl species play an important role in the mechanism, detailed knowledge on the catalytically active species is still missing. To identify these carbonyl complexes, we apply in-situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) in combination with density functional theory (DFT).
Dynamic equilibria in supported ionic liquid phase (SILP) catalysis: in situ IR spectroscopy identifies [Ru(CO)xCly]n species in water gas shift catalysis - Catalysis Science & Technology (RSC Publishing)
Ru-based supported ionic liquid phase (SILP) systems efficiently catalyze the low-temperature water-gas shift reaction (WGSR). While previous studies suggest that Ru-carbonyl species play an important role in the mechanism, detailed knowledge on the catalytically active species is still missing. To identify these carbonyl complexes, we apply in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) in combination with density functional theory (DFT).
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