Henrik Grönbeck
Visar 263 publikationer
Nature of ammonia storage sites in H-SSZ-13 and Cu-SSZ-13
Effects of sulfur on dehydrogenation of methylcyclohexane over platinum catalysts
Platinum surface oxides govern the cathodic overpotential of the oxygen reduction reaction
How PtOx/CeO2 Nanostructures Catalyze CO Oxidation at Very Low Temperatures
CO-Induced Structural Flexibility in Cu and Au Nano-Catalysts
Hydrogen-induced oxide-to-metal charge transfer modifies catalytic sites
Efficient parameterization of adsorbate–adsorbate interactions on metal surfaces
Dynamic Catalysis Multiscale Simulations for Nonoxidative Coupling of Methane Using Light and Heat
Skeletal Editing by Tip-Induced Chemistry
Kinetic Monte Carlo-Based Reactor Model Including Catalyst Shape Changes
Kinetic Monte Carlo Simulations to Study Reactions over Nanoparticles
Spontaneous Charge Separation at the Metal-Water Interface
Kinetic Monte Carlo Simulations of Low-Temperature NH<inf>3</inf>-SCR over Cu-Exchanged Chabazite
Dynamics of Dilute Nanoalloy Catalysts
Scaling-Relation Kinetic Monte Carlo Simulations for CO Oxidation over Dilute Pt@Au Alloys
Interpretation of H<inf>2</inf>-TPR from Cu-CHA Using First-Principles Calculations
Exploring Structural Dynamics of Small Pt Nanoparticles on Ceria
Mechanism for Cu-enhanced hydrothermal stability of Cu-CHA for NH<inf>3</inf>-SCR
High-Temperature Reaction Mechanism of NH<inf>3</inf>-SCR over Cu-CHA: One or Two Copper Ions?
Hydrogen Adsorption on Pd–In Intermetallic Surfaces
Simplified Kinetic Model for NH3‑SCR Over Cu‑CHA Based on First‑Principles Calculations
Mechanism for SO2 poisoning of Cu-CHA during low temperature NH3-SCR
Multiscale modeling reveals aluminum nitride as an efficient propane dehydrogenation catalyst
Support-facet-dependent morphology of small Pt particles on ceria
Ensemble Effects in Adsorbate-Adsorbate Interactions in Microkinetic Modeling
Interface Reactions Dominate Low-Temperature CO Oxidation Activity over Pt/CeO<inf>2</inf>
Surface steps dominate the water formation on Pd(111) surfaces
Can oxygen vacancies in ceria surfaces be measured by O1s photoemission spectroscopy?
In situ DRIFT studies on N2O formation over Cu-functionalized zeolites during ammonia-SCR
Coexisting multi-states in catalytic hydrogen oxidation on rhodium
Role of hydroxylation for the atomic structure of a non-polar vicinal zinc oxide
On the signatures of oxygen vacancies in O1s core level shifts
On the Reaction Mechanism of Direct H<inf>2</inf>O<inf>2</inf>Formation over Pd Catalysts
The Role of H+- and Cu+-Sites for N2O Formation during NH3-SCR over Cu-CHA
A Complete Multisite Reaction Mechanism for Low-Temperature NH3-SCR over Cu-CHA
Structure of two-dimensional Fe3O4
Sensitivity of Monte Carlo Simulations to Linear Scaling Relations
Hydrogen adsorption on In2O3(111) and In2O3(110)
Structure-Dependent Strain Effects
Stability, magnetic order, and electronic properties of ultrathin Fe3O4 nanosheets
Perspectives on Computational Catalysis for Metal Nanoparticles
A comparative test of different density functionals for calculations of NH3-SCR over Cu-Chabazite
Correlation between Ethylene Adsorption Energies and Core-Level Shifts for Pd Nanoclusters
Revealing Carbon Phenomena at Palladium Nanoparticles by Analyzing the Work Function
CO2 adsorption on hydroxylated In2O3(110)
Multiscale reactor modelling of total pressure effects on complete methane oxidation over Pd/Al2O3
Selective Acetylene Hydrogenation over Single-Atom Alloy Nanoparticles by Kinetic Monte Carlo
Interpretation of NH 3 -TPD Profiles from Cu-CHA Using First-Principles Calculations
A dimer path for CO dissociation on PtSn
Strain affects CO oxidation on metallic nanoparticles non-linearly
Initial Fe3O4(100) Formation on Fe(100)
Tight-Binding Approximation-Enhanced Global Optimization
Thin water films and particle morphology evolution in nanocrystalline MgO
The Site‐Assembly Determines Catalytic Activity of Nanoparticles
Fuel Cell Measurements with Cathode Catalysts of Sputtered Pt3Y Thin Films
Effect of Al-distribution on oxygen activation over Cu-CHA
Steps Control the Dissociation of CO2 on Cu(100)
Se-C Cleavage of Hexane Selenol at Steps on Au(111)
The Influence of Inert Ions on the Reactivity of Manganese Oxides
Influence of atomic site-specific strain on catalytic activity of supported nanoparticles
Activation of oxygen on (NH3–Cu–NH3)+ in NH3-SCR over Cu-CHA
Oxygen step-response experiments for methane oxidation over Pd/Al2O3: An in situ XAFS study
Understanding the Intrinsic Surface Reactivity of Single-Layer and Multilayer PdO(101) on Pd(100)
Electrooxidation of Glycerol on Gold in Acidic Medium: A Combined Experimental and DFT Study
Adsorption of NO on Fe3O4(111)
Monte Carlo Potential Energy Sampling for Molecular Entropy in Zeolites
Visualizing catalyst heterogeneity by a multifrequencial oscillating reaction
MonteCoffee: A programmable kinetic Monte Carlo framework
CO Oxidation at SnO2/Pt3Sn(111) Interfaces
Mobility of copper in zeolite-based SCR catalysts
Strain Dependent Light-off Temperature in Catalysis Revealed by Planar Laser-Induced Fluorescence
Catalysis at the Rim: A Mechanism for Low Temperature CO Oxidation over Pt3Sn
Fe Oxides on Ag Surfaces: Structure and Reactivity
Cluster Size Effects in Ethylene Hydrogenation over Palladium
Copper mobility in zeolite-based SCR catalysts
First Principles Calculations of Palladium Nanoparticle XANES Spectra
2D-3D structural transition in sub-nanometer Pt-N clusters supported on CeO2(111)
Connection between macroscopic kinetic measurables and the degree of rate control
Adsorbate Entropies with Complete Potential Energy Sampling in Microkinetic Modeling
Dissociative adsorption of CO2 on Cu(100)
Correspondence: On the bonding in ligand-protected gold clusters
Pt Nanoparticle Sintering and Redispersion on a Heterogeneous Nanostructured Support
Mechanism for Solid-State Ion-Exchange of Cu+ into Zeolites
First-Principles Microkinetic Modeling of Methane Oxidation over Pd(100) and Pd(111)
TiOx thin films grown on Pd(100) and Pd(111) by chemical vapor deposition
Tuning the Reactivity of Ultrathin Oxides: NO Adsorption on Monolayer FeO(111)
Structural and Energetic Trends of Ethylene Hydrogenation over Transition Metal Surfaces
Methyl crotonate hydrogenation over Pt: Effects of support and metal dispersion
PtY thin films as highly active catalysts for oxygen reduction reaction
Understanding the Phase Diagram of Self-Assembled Monolayers of Alkanethiolates on Gold
Kinetic Regimes in Ethylene Hydrogenation over Transition-Metal Surfaces
Chemical properties of metal oxide films
Hydrogenation and oxidation over palladium clusters and surfaces
Importance of attractive pair interactions in reactions on metal oxide surfaces
Stress relaxation and catalysis
Partial oxidation of methane to methanol over ZSM-5 from first-principles
Reversed Hysteresis during CO Oxidation over Pd75Ag25(100)
Trends in adsorbate induced core level shifts
Oxidation at the Subnanometer Scale
Tunability of NOx stotage and release for different perovskite type catalysts
Interpretation of palladium XANES spectra from first-principles calculations
Size Effects in MgO Cube Dissolution
Methane Oxidation over PdO(101) Revealed by First-Principles Kinetic Modeling
Selectivity and kinetics of methyl crotonate hydrogenation over Pt/Al2O3
Transient Bimodal Particle Size Distributions during Pt Sintering on Alumina and Silica
NOx Adsorption on ATiO(3)(001) Perovskite Surfaces
Combining electrochemical and in-situ optical characterization of Pt and its alloys
Chemistry of supported palladium nanoparticles during methane oxidation
Anchoring of Pt and PtRu to carbon nanofibers studied by density functional theory calculations
CO Adsorption on Clean and Oxidized Pd(111)
Metal-oxide sites for facile methane dissociation
Catalytic hydrogenation of C=C and C=O in unsaturated fatty acid methyl esters
Mechanism for Limiting Thickness of Thin Oxide Films on Aluminum
Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules
Analysis of Porphyrines as Catalysts for Electrochemical Reduction of O-2 and Oxidation of H2O
Toward a Silver-Alumina Model System for NOx Reduction Catalysis
Intrinsic Ligand Effect Governing the Catalytic Activity of Pd Oxide Thin Films
High-Coverage Oxygen-Induced Surface Structures on Ag(111)
Generation and oxidation of aerosol deposited PdAg nanoparticles
Water desorption from nanostructured graphite surfaces
Facile NOx interconversion over preoxidized Ag(111)
Efficient hydrogenation over single-site bimetallic RuSn clusters
Methane oxidation over Pd and Pt studied by DFT and kinetic modeling
Methane oxidation over Pd supported on ceria–alumina under rich/lean cycling conditions
Dissociative Adsorption of Hydrogen on PdO(101) Studied by HRCLS and DFT
Simulated Photoemission Spectra of Hydroxylated MgO(100) at Elevated Temperatures
Methane oxidation over Pd supported on ceria-alumina
The active phase of palladium during methane oxidation
The bonding in thiolate protected gold nanoparticles from Au4f photoemission core level shifts
Mechanism for reversed photoemission core-level shifts of oxidized Ag
Implications of reduced system size on chemical properties
Unravelling the surface state of Pd during methane oxidation
Low-temperature methane oxidation over single crystal Pd(100)
The Active Phase of Palladium during Methane Oxidation
Methane oxidation over Pd supported on ceria-alumina
Photo- and thermal desorption of water from ice covered carbon nanostructures
Effect of lattice strain on hydrogen diffusion in Pd: A density functional theory study
The Al50Cp*(12) Cluster - A 138-Electron Closed Shell (L=6) Superatom
CO Oxidation on Technological Pd-Al2O3 Catalysts: Oxidation State and Activity
Low Temperature CO Oxidation over Supported Ultrathin MgO Films
Combining DRIFT and DFT to characterize NOx species on Ag/α-Al2O3
Carbonate formation on p(4 x 4)-O/Ag(111)
Oxidation and reduction of Pd(100) and aerosol-deposited Pd nanoparticles
Evidence of superatom electronic shells in ligand-stabilized aluminum clusters
Studying hydrogen storage properties of metal nanoparticles using nanoplasmonic sensing
Exceptionally Active Single-Site Nanocluster Multifunctional Catalysts for Cascade Reactions
Photoemission core-level shifts reveal the thiolate-Au(111) interface
Thiolate-Protected Au-25 Superatoms as Building Blocks: Dimers and Crystals
The structure of self-assembled thiols on gold surfaces
Structural and electronic properties of mono- and bimetallic ligand stabilized clusters
Theoretical Characterization of Cyclic Thiolated Copper, Silver, and Gold Clusters
Water Dissociation on MgO/Ag(100): Support Induced Stabilization or Electron Pairing?
Oxidation of Small Silver Clusters: A Density Functional Theory Study
Structure and bonding in the ubiquitous icosahedral metallic gold cluster Au144(SR)60
Regenerable sulphur traps: SOx storage and release kinetics
First-principles studies of NOx chemistry on Agn/Al2O3
SOx storage and release kinetics for ceria-supported Pt
Characterization of iron-carbonyl-protected gold clusters
Experimental and theoretical characterization of NOx species on Ag/alpha-Al2O3
Low temperature CO oxidation over supported ultrathin MgO films
Characterisation of NOx species on Ag/α-Al2O3 using DFT and DRIFT
Regenerable ceria-based SOx traps for sulfur removal in lean exhausts
Gold-Thiolate Complexes Form a Unique c (4x2) Structure on Au(111)
Ab initio molecular dynamics calculations of H2O on BaO(001)
Methane oxidation over Pt/Al2O3 – a transient in situ XANES study
A time-resolved in situ XANES study of transient methane oxidation over alumina supported platinum
Nickel self-diffusion in presence of ammonia and hydrogen: A density functional theory study
A unified view of ligand-protected gold clusters as superatom complexes
Activation of Al2O3 by a Long-Ranged Chemical Bond Mechanism
Identifying surface species by vibrational spectroscopy: Bridging monodentate nitrates
Microkinetic modelling with global thermodynamic consistency
On the Structure of Thiolate-Protected Au25
NO2 dissociation on Ag(111) revisited by theory
Synthesis, characterization, electronic structure and catalytic performance
Phase Characterisation of Ag/α-Al2O3 using NO2 as probe molecule
Polymerization at the alkylthiolate-Au(111) interface
Structural, Energetic, and Vibrational Properties of NOx Adsorption on Agn, n = 1-8
Vibrational analysis of H2 and NH3 adsorption on Pt/SiO2 and Ir/SiO2 model sensors
The transformation of BaCO3 to BaO as an initial step in NOx storage on Pt/Ba/Al2O3 catalysts
Structural and electronic properties of a trimetallic nanoparticle catalyst: Ru5PtSn
Vibrational analysis of H2 and NH3 adsorption on Pt/SiO2 and Ir/SiO2 model sensors
Theoretical characterization of NOx species on Ag/Al2O3
Divide and protect: capping gold nanoclusters with molecular gold-thiolate rings
Fundamental aspects of NOx adsorption on BaO
Mechanism for NO2 charging on metal supported MgO
Effects on the metal in the adsorption of NO2 on platinum supported BaO films
Theoretical characterization of cyclic thiolated gold clusters
Comparison of the bonding in Au8 and Cu8: A density functional theory study
The nature of NOx species on BaO(100): An ab initio molecular dynamics study
Vibrational Analysis of H2 and D2 Adsorption on Pt/SiO2
Toward a Realistic Description of NOxStorage in BaO: The Aspect of BaCO3
NOx storage on BaO: theory and experiment
Surface properties of alkaline earth metal oxides
CO bonded platinum: effects of semi-core polarization
Characterization of NOx species adsorbed on BaO: Experiment and theory
Vibrational study of ammonia adsorption on Pt/SiO2
First principles studies of metal-oxide surfaces
Pt and Pt2 on MgO(100) and BaO(100): Structure, Bonding and Chemical Properties
CO-induced modification of the metal/MgO(100) interaction
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Visar 19 forskningsprojekt
Innovative electrocatalysts with high atomic efficiency for hydrogen fuel cells
Minskade lustgasemissioner från katalysatorer (Ammoniak-SCR över koppar zeoliter)
Länk mellan katalytisk aktivitet och kvantmekaniska beräkningar
Atomär design av katalysatorer
In situ högenergetisk röntgendiffraktion från elektrokemiska material
En teoretisk studie av reaktivitet samt dynamik på ytor
Tidsupplösta in situ metoder för design av katalytiska säten för hållbar kemi
Framtagande av science cases för e-infrastruktur i Sverige (utredningsuppdrag)
Identifiering av katalytiskt aktiva säten med röntgenabsorptionsspektroskopi
Katalysatorer för krävande miljöer
Studier av detektionsmekanismen för fälteffektsensorer
Studier av MISiCFET-gassensorers detektionsmekanism