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Applied Catalysis A: General, ISSN 0926-860X, 07/2011, Volume 401, Issue 1-2, pp. 29 - 36
To enhance our understanding of the effects of sulfur on the properties of Mo C and Pt/Mo C catalysts, methanol steam reforming rates were measured in the... 
Methanol steam reforming | Water-gas shift | Platinum | Molybdenum carbide | Sulfur poisoning
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 03/2014, Volume 16, Issue 10, pp. 4720 - 4727
We present a theoretical analysis of trends in overpotentials for electrocatalytic CO2 reduction based on density functional theory calculations. The analysis... 
OXIDATION | PRESSURE | SINGLE-CRYSTAL ELECTRODES | OXYGEN REDUCTION | ELECTROREDUCTION | RECONSTRUCTION | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | PLATINUM | CHEMISTRY, PHYSICAL | ADSORPTION | CARBON-DIOXIDE | MASS-SPECTROMETRY
Journal Article
Applied Catalysis A: General, ISSN 0926-860X, 07/2011, Volume 401, Issue 1-2, pp. 29 - 36
To enhance our understanding of the effects of sulfur on the properties of Mo sub(2C and Pt/Mo) sub(2)C catalysts, methanol steam reforming rates were measured... 
Deactivation | Catalysts | Methyl alcohol | Platinum | Surface chemistry | Reforming | Catalysis | Sulfur
Journal Article
ISSN 1463-9076, 2/2014, Volume 16, Issue 1, pp. 472 - 4727
We present a theoretical analysis of trends in overpotentials for electrocatalytic CO 2 reduction based on density functional theory calculations. The analysis... 
Journal Article
Physical Chemistry Chemical Physics, ISSN 1463-9076, 02/2014, Volume 16, Issue 10, pp. 4720 - 4727
We present a theoretical analysis of trends in overpotentials for electrocatalytic CO sub(2) reduction based on density functional theory calculations. The... 
Reduction | Transition metals | Carbon dioxide | Density functional theory | Catalytic activity | Carbon monoxide | Trends | Free energy
Journal Article
Catalysis Letters, ISSN 1011-372X, 02/2015, Volume 145, Issue 3, pp. 794 - 807
Descriptor-based analysis is a powerful tool for understanding the trends across various catalysts. In general, the rate of a reaction over a given catalyst is... 
Heterogeneous catalysis | Surface reaction kinetics | Ab initio calculations | Kinetic modeling | TRANSITION-METAL SURFACES | CHEMISTRY, PHYSICAL | ADSORBATE-ADSORBATE INTERACTIONS | 1ST PRINCIPLES | CO OXIDATION | NANOPARTICLES | AMMONIA-SYNTHESIS | CHEMISTRY | DENSITY-FUNCTIONAL THEORY | ENERGIES | Algorithms | Parameters | Catalysts | Modules | Mapping | Oxidation | Mathematical models | Catalysis | Trends
Journal Article
Journal of Catalysis, ISSN 0021-9517, 06/2010, Volume 272, Issue 2, pp. 235 - 245
Molybdenum carbide (Mo C) and Pt/Mo C catalysts were evaluated for the water gas shift reaction without and with 5 ppm H S. The Mo C catalyst was quickly... 
H | S | Molybdenum carbide | Platinum | Sulfur poisoning | Water gas shift | METAL CARBIDES | HYDROGENATION | H2S | CHEMISTRY, PHYSICAL | NITRIDE | THIOPHENE | ENGINEERING, CHEMICAL | MOLYBDENUM CARBIDE CATALYSTS | TURNOVER RATES | RAY PHOTOELECTRON-SPECTROSCOPY | SURFACE | XPS
Journal Article
Applied Catalysis A, General, ISSN 0926-860X, 07/2011, Volume 401, Issue 1-2, p. 29
Display Omitted 
Sulfur compounds | Sulfur | Methanol
Journal Article
Journal of Catalysis, ISSN 0021-9517, 06/2010, Volume 272, Issue 2, p. 235
Sulfur exposure caused the Mo.sub.2C surface to convert to MoS.sub.2, which is moderately active for the water gas shift reaction. After recarburization in 15%... 
Sulfur compounds | Sulfur
Journal Article
Applied Catalysis A, General, ISSN 0926-860X, 2011, Volume 401, Issue 1, pp. 29 - 36
► Mo C and Pt/Mo C catalysts highly active for methanol steam reforming. ► Mo C was partially tolerant to sulfur exposure and fully regenerable. ► Methanol... 
Methanol steam reforming | Platinum | H 2S | Water–gas shift | Molybdenum carbide | Sulfur poisoning
Journal Article
Journal of Catalysis, ISSN 0021-9517, 2010, Volume 272, Issue 2, pp. 235 - 245
Sulfur exposure caused the Mo C surface to convert to MoS , which is moderately active for the water gas shift reaction. After recarburization in 15% CH /H ,... 
Platinum | H 2S | Molybdenum carbide | Water gas shift | Sulfur poisoning
Journal Article
APPLIED CATALYSIS A-GENERAL, ISSN 0926-860X, 07/2011, Volume 401, Issue 1-2, pp. 29 - 36
To enhance our understanding of the effects of sulfur on the properties of Mo2C and Pt/Mo2C catalysts, methanol steam reforming rates were measured in the... 
H2S | DECOMPOSITION | CHEMISTRY, PHYSICAL | CRYSTAL | THIOPHENE | Sulfur poisoning | HYDROGEN | ENVIRONMENTAL SCIENCES | Methanol steam reforming | Water-gas shift | Platinum | TRANSITION-METAL CARBIDES | DIFFRACTION | BETA-MO2C | Molybdenum carbide | NITRIDES
Journal Article
New Journal of Physics, ISSN 1367-2630, 12/2013, Volume 15, Issue 12, pp. 1 - 18
This paper demonstrates a method for screening transition metal and metal alloy catalysts based on their predicted rates and stabilities for a given catalytic... 
OXIDATION | NICKEL-CATALYSTS | ACTIVATION | HYDROGENATION | CHEMICAL CONVERSION | PHYSICS, MULTIDISCIPLINARY | REACTIVITY | DENSITY-FUNCTIONAL THEORY | ADSORBATE-ADSORBATE INTERACTIONS | NI CATALYST | SURFACE-CHEMISTRY | Methane | Screening | Transition metals | Alloy development | Catalysts | Mathematical models | Reforming | Catalysis
Journal Article
Surface Science, ISSN 0039-6028, 07/2013, Volume 613, pp. 58 - 62
The absorption of sulfur on the Ni(100) surface has been reported to influence its product selectivity for methanol dehydrogenation. While dehydrogenation on... 
Hydrogen storage | Methyl alcohol | Dehydrogenation | Surface chemistry | Selectivity | Cleaning | Carbon monoxide | Sulfur
Journal Article
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