The nature of the active site in heterogeneous metal catalysis.
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Impact of surface chemistryCorrosion chemistry closing comments: opportunities in corrosion science facilitated by operando experimental characterization combined with multi-scale computational modelling.Confined catalysis under two-dimensional materials.Surface-site reactivity in small-molecule adsorption: A theoretical study of thiol binding on multi-coordinated gold clusters.The effect of carbon monoxide Co-adsorption on Ni-catalysed water dissociation.Structure sensitivity and nanoscale effects in electrocatalysis.New concepts and modeling strategies to design and evaluate photo-electro-catalysts based on transition metal oxides.Shape-controlled nanostructures in heterogeneous catalysis.Mechanism and microkinetics of the Fischer-Tropsch reaction.Morphology-dependent nanocatalysts: rod-shaped oxides.Tailoring metal-oxide interfaces of inverse catalysts of TiO2/nanoporous-Au under hydrogen oxidation.Comparison of the catalytic activity for O2 reduction of Fe and Co MN4 adsorbed on graphite electrodes and on carbon nanotubes.IR spectroscopic investigations of chemical and photochemical reactions on metal oxides: bridging the materials gap.Perspective: On the active site model in computational catalyst screening.Size- and shape-dependent catalytic performances of oxidation and reduction reactions on nanocatalysts.Trends in water monomer adsorption and dissociation on flat insulating surfaces.Morphology-dependent nanocatalysis: metal particles.Structure sensitivity in oxide catalysis: First-principles kinetic Monte Carlo simulations for CO oxidation at RuO2(111).Structure sensitivity of Cu and CuZn catalysts relevant to industrial methanol synthesis.Size-dependence of carbon nanotube confinement in catalysis.The Role of Defects in the Local Reaction Kinetics of CO Oxidation on Low-Index Pd Surfaces.DFT based study of transition metal nano-clusters for electrochemical NH3 production.A Graphene Composite Material with Single Cobalt Active Sites: A Highly Efficient Counter Electrode for Dye-Sensitized Solar Cells.On the behavior of Brønsted-Evans-Polanyi relations for transition metal oxides.Key unanswered questions about the mechanism of olefin hydrogenation catalysis by transition-metal surfaces: a surface-science perspective.Definitive molecular level characterization of defects in UiO-66 crystals.Synthesis and characterisation of ruthenium-nitrosyl complexes in oxygen-rich ligand environments.A DFT investigation of the adsorption of iodine compounds and water in H-, Na-, Ag-, and Cu- mordenite.Discovery of a Ni-Ga catalyst for carbon dioxide reduction to methanol.In situ/operando studies for the production of hydrogen through the water-gas shift on metal oxide catalysts.Density functional theory model study of size and structure effects on water dissociation by platinum nanoparticles.Analyzing the Case for Bifunctional Catalysis.Oxidative dehydrogenation reaction of short alkanes on nanostructured carbon catalysts: a computational account.Molecular Level Characterization of the Structure and Interactions in Peptide-Functionalized Metal-Organic Frameworks.Substrate co-doping modulates electronic metal-support interactions and significantly enhances single-atom catalysis.The active sites of supported silver particle catalysts in formaldehyde oxidation.Polarization-driven catalysis via ferroelectric oxide surfaces.Modulating fcc and hcp Ruthenium on the Surface of Palladium-Copper Alloy through Tunable Lattice Mismatch.Determinant Role of Electrogenerated Reactive Nucleophilic Species on Selectivity during Reduction of CO2 Catalyzed by Metalloporphyrins.Hydrogen adsorption on MoS2-surfaces: a DFT study on preferential sites and the effect of sulfur and hydrogen coverage.
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The nature of the active site in heterogeneous metal catalysis.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on 04 August 2008
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
The nature of the active site in heterogeneous metal catalysis.
@en
The nature of the active site in heterogeneous metal catalysis.
@nl
type
label
The nature of the active site in heterogeneous metal catalysis.
@en
The nature of the active site in heterogeneous metal catalysis.
@nl
prefLabel
The nature of the active site in heterogeneous metal catalysis.
@en
The nature of the active site in heterogeneous metal catalysis.
@nl
P50
P356
P1476
The nature of the active site in heterogeneous metal catalysis.
@en
P2093
Britt Hvolbaek
Claus H Christensen
P304
P356
10.1039/B800260F
P577
2008-08-04T00:00:00Z