Search Results - "Dumesic, J. A"

Hydrogen from catalytic reforming of biomass-derived hydrocarbons in liquid water by Dumesic, J. A, Cortright, R. D, Davda, R. R

“…Concerns about the depletion of fossil fuel reserves and the pollution caused by continuously increasing energy demands make hydrogen an attractive alternative…”
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Modeling Ethanol Decomposition on Transition Metals: A Combined Application of Scaling and Brønsted−Evans−Polanyi Relations by Ferrin, P, Simonetti, D, Kandoi, S, Kunkes, E, Dumesic, J. A, Nørskov, J. K, Mavrikakis, M

“…Applying density functional theory (DFT) calculations to the rational design of catalysts for complex reaction networks has been an ongoing challenge,…”
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Raney Ni-Sn catalyst for H2 production from biomass-derived hydrocarbons by HUBER, G. W, SHABAKER, J. W, DUMESIC, J. A

“…Hydrogen (H2) was produced by aqueous-phase reforming of biomass-derived oxygenated hydrocarbons at temperatures near 500 kelvin over a tin-promoted…”
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Powering Fuel Cells with CO via Aqueous Polyoxometalates and Gold Catalysts by Kim, Won Bae, Voitl, T., Rodriguez-Rivera, G. J., Dumesic, J. A.

“…Electricity was produced by catalytic oxidation of carbon monoxide (CO) by using gold catalysts at room temperature. The observed rates are faster than…”
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Gas-phase conversion of glycerol to synthesis gas over carbon-supported platinum and platinum–rhenium catalysts by Simonetti, D.A., Kunkes, E.L., Dumesic, J.A.

“…The rate of glycerol conversion to H 2/CO gas mixtures was measured under kinetically controlled reaction conditions over carbon-supported platinum and…”
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DFT studies for cleavage of CC and CO bonds in surface species derived from ethanol on Pt(111) by Alcalá, R., Mavrikakis, M., Dumesic, J.A.

“…Results from self-consistent periodic DFT calculations were used to study the relative stabilities and reactivities of surface species on Pt(111) derived by…”
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A review of catalytic issues and process conditions for renewable hydrogen and alkanes by aqueous-phase reforming of oxygenated hydrocarbons over supported metal catalysts by Davda, R.R., Shabaker, J.W., Huber, G.W., Cortright, R.D., Dumesic, J.A.

“…We have recently developed a single-step, low-temperature process for the catalytic production of fuels, such as hydrogen and/or alkanes, from renewable…”
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Aqueous-phase reforming of oxygenated hydrocarbons over Sn-modified Ni catalysts by Shabaker, J.W, Huber, G.W, Dumesic, J.A

“…Reaction kinetics measurements were conducted for aqueous-phase reforming of oxygenated hydrocarbons over Pt/Al 2O 3, Ni/Al 2O 3, NiSn/Al 2O 3, Raney-Ni, and…”
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Effect of Pt and Pd promoter on Ni supported catalysts—A TPR/TPO/TPD and microcalorimetry study by Tanksale, A., Beltramini, J.N., Dumesic, J.A., Lu, G.Q.

“…The promoting effect of Pt and Pd in bimetallic Ni–Pt and Ni–Pd catalysts supported on alumina nano-fibre (Alnf) were tested for the liquid phase reforming of…”
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Aqueous-phase reforming of methanol and ethylene glycol over alumina-supported platinum catalysts by Shabaker, J.W., Davda, R.R., Huber, G.W., Cortright, R.D., Dumesic, J.A.

“…The rates of aqueous-phase reforming of methanol and ethylene glycol to form H 2 and CO 2 were measured under kinetically controlled reaction conditions at…”
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Sn-modified Ni catalysts for aqueous-phase reforming: Characterization and deactivation studies by Shabaker, J.W., Simonetti, D.A., Cortright, R.D., Dumesic, J.A.

“…The catalytic deactivation of R-NiSn catalysts was explored during hydrogen production by aqueous-phase reforming (APR) of ethylene glycol. X-ray photoelectron…”
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Why Au and Cu are more selective than Pt for preferential oxidation of CO at low temperature by KANDOI, S, GOKHALE, A. A, GRABOW, L. C, DUMESIC, J. A, MAVRIKAKIS, M

“…Self-consistent, periodic density functional theory (DFT) calculations and micro-kinetic modeling are used to compare selectivity for the preferential…”
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Trends in low-temperature water–gas shift reactivity on transition metals by Schumacher, N., Boisen, A., Dahl, S., Gokhale, A.A., Kandoi, S., Grabow, L.C., Dumesic, J.A., Mavrikakis, M., Chorkendorff, I.

“…Low-temperature water–gas shift reactivity trends on transition metals were investigated with the use of a microkinetic model based on a redox mechanism. It is…”
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Density functional theory studies of mechanistic aspects of the SCR reaction on vanadium oxide catalysts by Anstrom, Mark, Topsøe, Nan-Yu, Dumesic, J.A.

“…Density functional theory (DFT) calculations were carried out on a vanadium oxide cluster containing four vanadium atoms to probe the mechanism of the…”
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Aqueous-phase reforming of ethylene glycol over supported platinum catalysts by SHABAKER, J. W, HUBER, G. W, DAVDA, R. R, CORTRIEHT, R. D, DUMESIC, J. A

“…Aqueous-phase reforming of 10 wt% ethylene glycol solutions was studied at temperatures of 483 and 498 K over Pt-black and Pt supported on TiO2, Al2O3, carbon,…”
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Kinetics of heterogeneous catalytic reactions: Analysis of reaction schemes by Cortright, R.D., Dumesic, J.A.

“…A wide variety of techniques are usually employed in investigations of heterogeneous catalysis. These investigations typically involve one or more of the…”
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Analyses of Reaction Schemes Using De Donder Relations by Dumesic, J.A.

“…The use of De Donder relations is addressed for analysis of reaction schemes to describe the kinetics of overall reactions. These relations provide a simple…”
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Theoretical Studies of Stability and Reactivity of CHx Species on Ni(111) by Watwe, R.M., Bengaard, H.S., Rostrup-Nielsen, J.R., Dumesic, J.A., Nørskov, J.K.

“…Periodic infinite plane wave slab calculations were performed, in conjunction with density functional theory and ultrasoft pseudopotentials to study the…”
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Single-reactor process for sequential aldol-condensation and hydrogenation of biomass-derived compounds in water by Barrett, C.J., Chheda, J.N., Huber, G.W., Dumesic, J.A.

“…A bifunctional Pd/MgO-ZrO2 catalyst was developed for the single-reactor, aqueous phase aldol-condensation and hydrogenation of carbohydrate-derived compounds,…”
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CO vibrational frequencies on methanol synthesis catalysts: a DFT study by Greeley, J., Gokhale, A.A., Kreuser, J., Dumesic, J.A., Topsøe, H., Topsøe, N.-Y., Mavrikakis, M.

“…Periodic, self-consistent density functional theory calculations are used to explain the observed decrease in the vibrational frequency of CO on methanol…”
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