Search Results - "Delgass, W. Nicholas"
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Catalysis in a Cage: Condition-Dependent Speciation and Dynamics of Exchanged Cu Cations in SSZ-13 Zeolites
Published in Journal of the American Chemical Society (11-05-2016)“…The relationships among the macroscopic compositional parameters of a Cu-exchanged SSZ-13 zeolite catalyst, the types and numbers of Cu active sites, and…”
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Two-dimensional transition metal carbides as supports for tuning the chemistry of catalytic nanoparticles
Published in Nature communications (10-12-2018)“…Supported nanoparticles are broadly employed in industrial catalytic processes, where the active sites can be tuned by metal-support interactions (MSIs)…”
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Changes in Catalytic and Adsorptive Properties of 2 nm Pt3Mn Nanoparticles by Subsurface Atoms
Published in Journal of the American Chemical Society (07-11-2018)“…Supported multimetallic nanoparticles (NPs) are widely used in industrial catalytic processes, where the relation between surface structure and function is…”
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Propane Aromatization over HZSM-5 and Ga/HZSM-5 Catalysts
Published in Catalysis reviews. Science and engineering (01-01-2008)“…The selective transformation of light alkanes to aromatics that are more valuable and versatile feedstocks for the chemical industry is one of the major…”
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Isolation of the Copper Redox Steps in the Standard Selective Catalytic Reduction on Cu-SSZ-13
Published in Angewandte Chemie International Edition (27-10-2014)“…Operando X‐ray absorption experiments and density functional theory (DFT) calculations are reported that elucidate the role of copper redox chemistry in the…”
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Size and Support Effects for the Water–Gas Shift Catalysis over Gold Nanoparticles Supported on Model Al2O3 and TiO2
Published in Journal of the American Chemical Society (14-03-2012)“…The water–gas shift (WGS) reaction rate per total mole of Au under 7% CO, 8.5% CO2, 22% H2O, and 37% H2 at 1 atm for Au/Al2O3 catalysts at 180 °C and Au/TiO2…”
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DFT comparison of intrinsic WGS kinetics over Pd and Pt
Published in Journal of catalysis (01-12-2014)“…[Display omitted] •Report consistent DFT calculations of WGS steps on Pd(111) and Pt(111).•Kinetics described using analytical model with variable CO binding…”
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Gas-phase epoxidation of propylene in the presence of H2 and O2 over small gold ensembles in uncalcined TS-1
Published in Journal of catalysis (01-05-2014)“…[Display omitted] •Uncalcined titanium silicalite-1 (U-TS-1) was used to support gold nanoparticles.•A slow increase in PO rate and PO/H2 selectivity during…”
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Catalysis at Metal/Oxide Interfaces: Density Functional Theory and Microkinetic Modeling of Water Gas Shift at Pt/MgO Boundaries
Published in Topics in catalysis (01-08-2020)“…The impact of metal/oxide interfaces on the catalytic properties of oxide-supported metal nanoparticles is a topic of longstanding interest in the field of…”
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Probing the gold active sites in Au/TS-1 for gas-phase epoxidation of propylene in the presence of hydrogen and oxygen
Published in Journal of catalysis (01-12-2012)“…Au/S-1/TS-1 had at least 20 times higher PO rate at 200°C (per gram of catalyst), compared to that of a Au/S-1 sample with similar gold loading at ∼0.05wt%…”
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Metallic Pt as active sites for the water–gas shift reaction on alkali-promoted supported catalysts
Published in Journal of catalysis (01-02-2012)“…The enhancement of the WGS rate by alkali components (Li, Na, and K) was confirmed on Pt/Al2O3. Addition of sodium resulted in the highest promotion. Upon…”
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Reproducible preparation of Au/TS-1 with high reaction rate for gas phase epoxidation of propylene
Published in Journal of catalysis (01-03-2012)“…The Au/TS-1 catalysts prepared at optimal DP conditions (pH of the gold slurry solution, the mixing time, and the preparation temperature) showed a PO rate…”
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Metallic Corner Atoms in Gold Clusters Supported on Rutile Are the Dominant Active Site during Water−Gas Shift Catalysis
Published in Journal of the American Chemical Society (13-10-2010)“…Au/TiO2 catalysts used in the water−gas shift (WGS) reaction at 120 °C, 7% CO, 22% H2O, 9% CO2, and 37% H2 had rates up to 0.1 moles of CO converted per mole…”
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Sustainable fuel for the transportation sector
Published in Proceedings of the National Academy of Sciences - PNAS (20-03-2007)“…A hybrid hydrogen-carbon (H₂CAR) process for the production of liquid hydrocarbon fuels is proposed wherein biomass is the carbon source and hydrogen is…”
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Identity and chemical function of gallium species inferred from microkinetic modeling studies of propane aromatization over Ga/HZSM-5 catalysts
Published in Journal of catalysis (04-05-2010)“…Unified gallium monohydride–gallium dihydride model predictions, indicating the regions where each active site dominates. All aluminum assumed to be in pairs,…”
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The Nature of the Isolated Gallium Active Center for Propane Dehydrogenation on Ga/SiO2
Published in Catalysis letters (01-05-2017)“…Single-site Ga/SiO 2 catalysts exhibit up to 99% C 3 H 6 selectivity at 4% propane conversion with an initial rate of 5.4 × 10 −4 (mole C 3 H 6 ) (mole Ga) −1…”
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Structural and catalytic differences in the effect of Co and Mo as promoters for Pt-based aqueous phase reforming catalysts
Published in Applied catalysis. B, Environmental (01-09-2014)“…Addition of Co and Mo to a Pt aqueous phase reforming (APR) catalyst increased the site time yields of the reaction, but showed differences in hydrogen…”
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Counting Au catalytic sites for the water–gas shift reaction
Published in Journal of catalysis (01-09-2012)“…Addition of bromine corresponding to 16% of the Au surface atoms decreases the water–gas shift (WGS) rate of a 2.3wt.%Au/TiO2 catalyst by six times and does…”
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Evidence of Defect-Promoted Reactivity for Epoxidation of Propylene in Titanosilicate (TS-1) Catalysts: A DFT Study
Published in Journal of the American Chemical Society (10-03-2004)“…Our density functional theory study of hydroperoxy (OOH) intermediates on various model titanosilicalite (TS-1) Ti centers explores how microstructural aspects…”
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Kinetic studies of the stability of Pt for NO oxidation: Effect of sulfur and long-term aging
Published in Journal of catalysis (15-08-2011)“…Two pathways are suggested during NO oxidation: (A) sulfur migration to interfacial support sites driven by the oxidation of surface Pt and (B) formation of…”
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