A5017783032- Catalytic Processes in Materials Science
- Catalysts for Methane Reforming
- Catalysis and Oxidation Reactions
- Catalysis and Hydrodesulfurization Studies
- Catalysis for Biomass Conversion
- Advanced Chemical Physics Studies
- Zeolite Catalysis and Synthesis
- Asymmetric Hydrogenation and Catalysis
- Mesoporous Materials and Catalysis
- Chemical Synthesis and Reactions
- Molecular Junctions and Nanostructures
- Layered Double Hydroxides Synthesis and Applications
- Nanomaterials for catalytic reactions
- Electrocatalysts for Energy Conversion
- Chemical Synthesis and Characterization
- Hydrogen Storage and Materials
- Inorganic and Organometallic Chemistry
- Surface Chemistry and Catalysis
- Oxidative Organic Chemistry Reactions
- Spectroscopy and Quantum Chemical Studies
- Inorganic Fluorides and Related Compounds
- Advanced materials and composites
- Magnesium Oxide Properties and Applications
- Advanced Data Storage Technologies
- X-ray Diffraction in Crystallography
Southern Illinois University Carbondale
2025
ScienceSouth
2025
Johnson Matthey (United Kingdom)
2005-2024
Intel (Ireland)
2022
Lehigh University
2017
Royal Society of Chemistry
2015
Johnson Matthey (Germany)
2009-2014
Technology Centre Prague
2009-2010
Catalyst
2005
Cambridge Research Biochemicals (United Kingdom)
1997-2003
Multistep surface processes involving a number of association reactions and desorption may be considered as hypothetical one-step processes. Thus, heterogeneous catalytic can treated kinetically consisting two steps: adsorption desorption. It is also illustrated that the process follows BEP relation. A volcano curve obtained from kinetic analysis by including both
Carbides are important phases in heterogeneous catalysis. However, the understanding of carbide is inadequate: Fe and Co two commercial catalysts for Fischer−Tropsch (FT) synthesis, experimental work showed that active phase FT whereas appearance considered as a possible deactivation cause. To understand very different catalytic roles carbides, all key elementary steps is, CO dissociation, C1 hydrogenation, C1+C1 coupling, extensively investigated on both surfaces using first principles...
A quantitative approach is used to understand the chain growth mechanism in FT synthesis on Ru, Fe, Rh, and Re surfaces. The C−C coupling reactions are extensively calculated stepped metal Combining barriers reactant stabilities, we investigate reaction rates of all possible C1 + pathways It found that (i) transition-state structures similar these surfaces, while some very different; (ii) dominant surfaces different: C CH Rh Ru CH3 Fe surface, surface. common features major together with...
RuIV-CoIII (1:1.5) binary oxide, prepared by co-precipitation, is a highly efficient solid catalyst for the oxidation of primary alcohols to aldehydes with O2 (76-95% selectivity at 54-100% conversion) in liquid phase under atmospheric pressure.
Extensive density function theory calculations are performed to study the mechanism of formation aldehyde and alcohol on Co surfaces in Fischer−Tropsch synthesis, a challenging issue heterogeneous catalysis. Three possible pathways for production formaldehyde methanol flat stepped Co(0001) investigated: (i) CO + 4H → CHO 3H CH2O 2H CH3O H CH3OH; (ii) COH CHOH CH2OH (iii) coupling reactions CH2 O CH3 OH CH3OH. It is found that these generally favored at step sites, preferred pathway via CHO....
Selectivity is a fundamental issue in heterogeneous catalysis. In this study, the CH4 selectivity Fischer−Tropsch synthesis chosen to be investigated: on Rh, Co, Ru, Fe, and Re surfaces computed by first-principles methods. conjunction with kinetic analyses, we are able derive effective barrier difference between methane formation chain growth (ΔEeff) quantify selectivity. By using energy descriptor, ranking of predicted from density functional theory (DFT) calculations consistent...
Industrial condensation reactions are usually homogeneously catalysed by strong caustic. Recent work has demonstrated the practical application of heterogenised base catalysts, which enhance selectivity and eliminate generation organically contaminated waste caustic streams. A number successful systems have been developed combination hydrogenation functionality explored.
Effective light harvesting is critical in bioinspired heterogeneous photocatalysts to transport the absorbed energy, compensating for diffusion-limited surface-only activity that commonly achieved solid systems constructed by simply anchoring a well-established photosensitizer (PS). While 3PS* has been widely exploited their persistence, 1PS* defines fresh paradigm artificial photosystems specifically aerobic photoredox processes where 1O2*-mediated oxidative path must be avoided. Endowed...
Understanding precursor transformation to active catalysts is crucial heterogeneous Fischer–Tropsch (FT) catalysis directed toward production of hydrocarbons for transportation fuels. Despite considerable literature on FT catalysis, the effect pretreatment supported cobalt dispersion, dynamic atomic structure, and activity not well understood. Here we present systematic studies into formation catalyst phases in Co precursors using situ environmental (scanning) transmission electron...
Zincian georgeite, an amorphous copper–zinc hydroxycarbonate, has been prepared by co-precipitation using acetate salts and ammonium carbonate.
Methanol synthesis using Cu/ZnO/Al2O3 catalysts is a well-established industrial process. Catalyst development always an important factor and this has resulted in the current fully optimised commercial catalyst that prepared by co-precipitation via hydroxycarbonate precursors. Recently, of CuZn precursor, analogous to rare mineral georgeite, was reported produce high activity methanol catalyst. Here we report addition Al3+, third component found catalysts, zincian georgeite-derived...
Diffusion-limited, heterogeneously-catalysed processes mean choices influencing pore structure-transport relationships, made during pellet fabrication, affect product performance. This work shows how the 'sifting strategy' can identify critical aspects of a highly complex catalyst structure that controls mass transport to construct an idiosyncratic, minimalist model. is implemented using fully-integrated gas overcondensation, mercury porosimetry and X-ray tomography experiments. It showed...
The surface chemistry of a commercial activated carbon (Sutcliffe DCL 230), which is representative carbons used as support materials in finely divided metal catalysts, has been characterized by combination traditional methods (surface area, porosity, Boehm titration, adsorption studies) supplemented X-ray photoelectron spectroscopy (XPS) and inelastic neutron scattering (INS) spectroscopy. pH measurements show the to be highly acidic, with titration XPS suggesting high proportion carboxylic...
High-throughput XRD and TGA are used to screen hundreds of candidate Fischer–Tropsch synthesis catalyst samples per month for particle size, reducibility stability under operating conditions. A series highly stable catalysts based on Co-Ru-Mg-Al<sub>2</sub>O<sub>3</sub> identified.