Henrik Grönbeck

Professor

Chalmers University of Technology

Sweden

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Professor Henrik Grönbeck is a faculty member at Chalmers University of Technology in Sweden. His research areas encompass reactor modeling using kinetic Monte Carlo methods, catalytic processes in ammonia synthesis, and computational chemistry focused on metal surfaces. Recent publications highlight his work on NH3-selective catalytic reduction and the influence of catalyst shape and composition on reaction kinetics.

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Collaborators (12)

Gloria Berlier

Full Professor

Università degli Studi di Torino

ITALY

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Sara Nilsson

Chalmers University of Technology

SWEDEN

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Louise Olsson

Professor

Chalmers tekniska högskola

SWEDEN

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Yingxin Feng

Chalmers University of Technology

SWEDEN

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Alice Bastos da Silva Fanta

Technical University of Denmark

DENMARK

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Per-Anders Carlsson

Chalmers University of Technology

SWEDEN

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Henrik Ström

Professor

Chalmers University of Technology

SWEDEN

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JAMES MEDLIN

University of Colorado Boulder

UNITED STATES

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Per Hyldgaard

Chaired Professor of Theoretical Physics

Chalmers tekniska högskola

SWEDEN

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Mathilde Luneau

Assistant Professor (Docent)

Chalmers University of Technology

SWEDEN

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Björn Wickman

Associate Professor

Chalmers tekniska högskola

SWEDEN

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Anders Hellman

Chalmers University of Technology

SWEDEN

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Henrik Grönbeck

Research Interests

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About

Articles (26)

Kinetic Monte Carlo-Based Reactor Model Including Catalyst Shape Changes

Inherent strain and kinetic coupling determine the kinetics of ammonia synthesis over Ru nanoparticles

Inhibition of NH3-SCR over Cu-CHA at high partial pressures of water: Measurements and DFT-based kinetic modeling

Efficient parameterization of adsorbate–adsorbate interactions on metal surfaces

Influence of aluminium distribution on the diffusion mechanisms and pairing of [Cu(NH3)2]+ complexes in Cu-CHA

Investigating the Composition of the Metal Dimer Site in Chabazite for Direct Methane-to-Methanol Conversion

The [(NH3)4Cu2O2]2+‐Peroxo Complex as the Key Intermediate for NH3‐SCR Activity and Deactivation of Cu‐CHA Catalysts.

Effect of SO2 and SO3 Exposure to Cu-CHA on Surface Nitrate and N2O Formation for NH3–SCR

Interpretation of H2-TPR from Cu-CHA Using First-Principles Calculations

Range-separated hybrid van der Waals density functionals to describe Cu2O2-complexes

Kinetic Monte Carlo Simulations of Low‐Temperature NH3‐SCR over Cu‐Exchanged Chabazite

Dynamics of Dilute Nanoalloy Catalysts

Scaling-Relation Kinetic Monte Carlo Simulations for CO Oxidation over Dilute Pt@Au Alloys

High-Temperature Reaction Mechanism of NH3-SCR over Cu-CHA: One or Two Copper Ions?

Spontaneous Charge Separation at the Metal‐Water Interface

Cover Feature: Kinetic Monte Carlo Simulations of Low‐Temperature NH3‐SCR over Cu‐Exchanged Chabazite (ChemPhysChem 18/2024)

Fundamental insight into enhanced activity of Pd/CeO2 thin films in hydrogen oxidation reaction in alkaline media

Site Communication in Direct Formation of H2O2 over Single-Atom Pd@Au Nanoparticles

Ensemble Effects in Adsorbate–Adsorbate Interactions in Microkinetic Modeling

Probing the role of grain boundaries in single Cu nanoparticle oxidation by in situ plasmonic scattering

Multiple Roles of Alkanethiolate‐Ligands in Direct Formation of H<sub>2</sub>O<sub>2</sub> over Pd Nanoparticles

Multiple Roles of Alkanethiolate‐Ligands in Direct Formation of H2O2 over Pd Nanoparticles

Interface Reactions Dominate Low-Temperature CO Oxidation Activity over Pt/CeO2

Methanol Synthesis Over PdIn, In2O3, and CuZn From First-Principles Microkinetics: Similarities and Differences

Can oxygen vacancies in ceria surfaces be measured by O1s photoemission spectroscopy?

Surface steps dominate the water formation on Pd(111) surfaces

Collaborators (12)

Gloria Berlier

Sara Nilsson

Louise Olsson

Yingxin Feng

Alice Bastos da Silva Fanta

Per-Anders Carlsson

Henrik Ström

JAMES MEDLIN

Per Hyldgaard

Mathilde Luneau

Björn Wickman

Anders Hellman

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