about
First principles surface thermodynamics of industrial supported catalysts in working conditions.Compensation effect and volcano curve in toluene hydrogenation catalyzed by transition metal sulfides.The role of the extra-framework cations in the adsorption of CO(2) on faujasite Y.Atomic Description of the Interface between Silica and Alumina in Aluminosilicates through Dynamic Nuclear Polarization Surface-Enhanced NMR Spectroscopy and First-Principles Calculations.Growth of boehmite particles in the presence of xylitol: morphology oriented by the nest effect of hydrogen bonding.Tuning the properties of visible-light-responsive tantalum (oxy)nitride photocatalysts by non-stoichiometric compositions: a first-principles viewpoint.Comment on "Electronic properties and charge transfer phenomena in Pt nanoparticles on γ-Al2O3: size, shape, support, and adsorbate effects" by F. Behafarid et al., Phys. Chem. Chem. Phys., 2012, 14, 11766-11779.Thermodynamic Properties of Trialkali (Li, Na, K) Hexa-alanates: A Combined DFT and Experimental StudyStructure and Stability of Aluminum Hydroxides: A Theoretical StudyImproved promoter effect in NiWS catalysts through a molecular approach and an optimized Ni edge decorationQuantitative Two-Dimensional (2D) Morphology–Selectivity Relationship of CoMoS Nanolayers: A Combined High-Resolution High-Angle Annular Dark Field Scanning Transmission Electron Microscopy (HR HAADF-STEM) and Density Functional Theory (DFT) StudyHighly Active Nonpromoted Hydrotreating Catalysts through the Controlled Growth of a Supported Hexagonal WS2 PhaseMagnifying the Morphology Change Induced by a Nickel Promoter in Tungsten(IV) Sulfide Industrial Hydrocracking Catalyst: A HAADF-STEM and DFT StudyAb Initio Simulation of the Acid Sites at the External Surface of Zeolite BetaAn Atomistic Description of the γ-Alumina/Water Interface Revealed by Ab Initio Molecular DynamicsCatalytic Reforming: Methodology and Process Development for a Constant Optimisation and Performance EnhancementCompetitive adsorption of nitrogen and sulphur compounds on a multisite model of NiMoS catalyst: A theoretical studyDealumination mechanisms of zeolites and extra-framework aluminum confinementDeep HDS of FCC gasoline over alumina supported CoMoS catalyst: Inhibiting effects of carbon monoxide and waterTuning the Magnetic Properties of MoS2 Single Nanolayers by 3d Metals Edge DopingCompetitive Deposition of C and O Species on Cobalt Surface in Fischer–Tropsch Synthesis Conditions: A Plausible Origin of DeactivationRegioselectivity of Al–O Bond Hydrolysis during Zeolites Dealumination Unified by Brønsted–Evans–Polanyi RelationshipRevisiting carbenium chemistry on amorphous silica-alumina: Unraveling their milder acidity as compared to zeolitesTuning the Metal-Support Interaction by Structural Recognition of Cobalt-Based Catalyst PrecursorsChallenges on molecular aspects of dealumination and desilication of zeolitesDensity functional theory simulations of complex catalytic materials in reactive environments: beyond the ideal surface at low coverageEnthalpy–Entropy Compensation Effect in Hydrogen Storage Materials: Striking Example of Alkali Silanides MSiH3 (M = K, Rb, Cs)Monitoring Morphology and Hydrogen Coverage of Nanometric Pt/γ-Al2O3Particles by In Situ HERFD-XANES and Quantum SimulationsStability of Carbon on Cobalt Surfaces in Fischer–Tropsch Reaction Conditions: A DFT StudyUnderstanding the role of aluminum-based activators in single site iron catalysts for ethylene oligomerizationA rational interpretation of improved catalytic performances of additive-impregnated dried CoMo hydrotreating catalysts: a combined theoretical and experimental studyAnionic or Cationic S-Doping in Bulk Anatase TiO2: Insights on Optical Absorption from First Principles CalculationsCobalt Catalyzed Fischer–Tropsch Synthesis: Perspectives Opened by First Principles CalculationsFrom γ-alumina to supported platinum nanoclusters in reforming conditions: 10years of DFT modeling and beyondPeriodic trends in the selective hydrogenation of styrene over silica supported metal catalystsA QSPR Investigation of Thermal Stability of [Al(CH3)O]n Oligomers in Methylaluminoxane Solution: The Identification of a Geometry-Based DescriptorCO adsorption on amorphous silica–alumina: electrostatic or Brønsted acidity probe?Deoxygenation mechanisms on Ni-promoted MoS2 bulk catalysts: A combined experimental and theoretical studyEffect of Indium Doping of γ-Alumina on the Stabilization of PtSn Alloyed Clusters Prepared by Surface Organostannic ChemistryHydrogenation properties of KSi and NaSi Zintl phases
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description
researcher ORCID ID = 0000-0003-4506-5062
@en
wetenschapper
@nl
name
P. Raybaud
@nl
Pascal Raybaud
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Pascal Raybaud
@es
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P. Raybaud
@nl
Pascal Raybaud
@en
Pascal Raybaud
@es
altLabel
P. Raybaud
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prefLabel
P. Raybaud
@nl
Pascal Raybaud
@en
Pascal Raybaud
@es
P106
P1153
7003955792
P21
P31
P496
0000-0003-4506-5062