Henrik Grönbeck

Full Professor at Chemical Physics

I am working within Computational catalysis and surface science. The work includes studies of materials and surface properties together with reactions on surfaces of nanometer sized clusters and extended surfaces. The major part of the work is done at atomistic level using the Density Functional Theory to describe quantum mechanical effects. Connections to experimental observations are done through theoretical spectroscopy were we calculate spectroscopic signatures and micro-kinetic modeling for reaction kinetics. By use of micro-kinetic modeling we can translate atomistic phenomena such as reaction barriers to catalytic activity which can be compared to measured conversion rates.

Source: chalmers.se
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Showing 244 publications

2024

Dynamics of Dilute Nanoalloy Catalysts

Rasmus Svensson, Henrik Grönbeck
Journal of Physical Chemistry Letters. Vol. 15, p. 7885-7891
Journal article
2024

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

Unni Engedahl, Astrid Boje, Henrik Ström et al
Journal of Physical Chemistry C. Vol. 128 (9), p. 3641-3651
Journal article
2024

Spontaneous Charge Separation at the Metal-Water Interface

Rasmus Svensson, Henrik Grönbeck
ChemPhysChem. Vol. 25 (8)
Journal article
2024

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

Noemi Bosio, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 128 (21), p. 8621-8627
Journal article
2024

Interpretation of H<inf>2</inf>-TPR from Cu-CHA Using First-Principles Calculations

Joachim Bjerregaard, Joonsoo Han, Derek Claude Creaser et al
Journal of Physical Chemistry C. Vol. 128 (11), p. 4525-4534
Journal article
2024

Effect of SO<sub>2</sub> and SO<sub>3</sub> Exposure to Cu-CHA on Surface Nitrate and N<sub>2</sub>O Formation for NH<sub>3</sub>-SCR

Joonsoo Han, Joachim Bjerregaard, Henrik Grönbeck et al
ACS ENGINEERING AU. Vol. In Press
Journal article
2024

Microkinetic Model Fitted with a Genetic Algorithm to Experimental XPS Coverages at High Pressure-CO Hydrogenation on Rh(111)

Mikael Valter-Lithander, Minttu Maria Kauppinen, David Degerman et al
Journal of Physical Chemistry C. Vol. 128 (28), p. 11598-11611
Journal article
2024

Kinetic Monte Carlo Simulations of Low-Temperature NH<inf>3</inf>-SCR over Cu-Exchanged Chabazite

Yingxin Feng, Henrik Grönbeck
ChemPhysChem. Vol. 25 (18)
Journal article
2024

Range-separated hybrid van der Waals density functionals to describe Cu<inf>2</inf>O<inf>2</inf>-complexes

Carl Mikael Frostenson, Yingxin Feng, Per Hyldgaard et al
Chemical Physics Letters. Vol. 856
Journal article
2024

Mechanism for Cu-enhanced hydrothermal stability of Cu-CHA for NH<inf>3</inf>-SCR

Shivangi Singh, Ton Janssens, Henrik Grönbeck
Catalysis Science and Technology. Vol. 14 (12), p. 3407-3415
Journal article
2024

High-Temperature Reaction Mechanism of NH<inf>3</inf>-SCR over Cu-CHA: One or Two Copper Ions?

Yingxin Feng, Ton Janssens, Peter Vennestrøm et al
Journal of Physical Chemistry C. Vol. 128 (16), p. 6689-6701
Journal article
2023

Site Communication in Direct Formation of H<inf>2</inf>O<inf>2</inf> over Single-Atom Pd@Au Nanoparticles

Rasmus Svensson, Henrik Grönbeck
Journal of the American Chemical Society. Vol. 145 (21), p. 11579-11588
Journal article
2023

Multiscale modeling reveals aluminum nitride as an efficient propane dehydrogenation catalyst

Mona Abdelgaid, Evan V. Miu, Hyunguk Kwon et al
Catalysis Science and Technology. Vol. 13 (12), p. 3527-3536
Journal article
2023

Hydrogen Adsorption on Pd–In Intermetallic Surfaces

Minttu Maria Kauppinen, Henrik Grönbeck
Topics in Catalysis. Vol. 66 (17-18), p. 1457-1464
Journal article
2023

Simplified Kinetic Model for NH3‑SCR Over Cu‑CHA Based on First‑Principles Calculations

Yingxin Feng, Derek Creaser, Henrik Grönbeck
Topics in Catalysis. Vol. 66 (13-14), p. 743-749
Journal article
2023

Mechanism for SO2 poisoning of Cu-CHA during low temperature NH3-SCR

Joachim Bjerregaard, Martin Votsmeier, Henrik Grönbeck
Journal of Catalysis. Vol. 417, p. 497-506
Journal article
2023

Ensemble Effects in Adsorbate-Adsorbate Interactions in Microkinetic Modeling

Elisabeth Dietze, Henrik Grönbeck
Journal of Chemical Theory and Computation. Vol. 19 (3), p. 1044-1049
Journal article
2023

Effect of Different In<inf>2</inf>O<inf>3</inf>(111) Surface Terminations on CO<inf>2</inf> Adsorption

Sabrina M. Gericke, Minttu Maria Kauppinen, Margareta Wagner et al
ACS Applied Materials & Interfaces. Vol. 15 (38), p. 45367-45377
Journal article
2023

Support-facet-dependent morphology of small Pt particles on ceria

Henrik Eliasson, Yubiao Niu, Richard E. Palmer et al
Nanoscale. Vol. 15 (47), p. 19091-19098
Journal article
2023

Fundamental insight into enhanced activity of Pd/CeO<inf>2</inf> thin films in hydrogen oxidation reaction in alkaline media

Mathilde Luneau, Linnéa Strandberg, Gerard Montserrat Siso et al
Journal of Materials Chemistry A. Vol. 11 (30), p. 16370-16382
Journal article
2023

First-principles microkinetic modeling of partial methane oxidation over graphene-stabilized single-atom Fe-catalysts

Sungil Hong, Minttu Maria Kauppinen, Evan V. Miu et al
Catalysis Science and Technology. Vol. 13 (24), p. 6999-7010
Journal article
2022

Tunable Ti<sup>3+</sup>-Mediated Charge Carrier Dynamics of Atomic Layer Deposition-Grown Amorphous TiO<inf>2</inf>

Jesse Saari, Harri Ali-Löytty, Minttu Maria Kauppinen et al
Journal of Physical Chemistry C. Vol. 126 (9), p. 4542-4554
Journal article
2022

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

Elisabeth Dietze, Lin Chen, Henrik Grönbeck
Journal of Chemical Physics. Vol. 156 (6)
Journal article
2022

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

Sara Nilsson, Alvaro Posada Borbon, Mario Zapata-Herrera et al
Physical Review Materials. Vol. 6 (4)
Journal article
2022

Interface Reactions Dominate Low-Temperature CO Oxidation Activity over Pt/CeO<inf>2</inf>

Noemi Bosio, Mengqiao Di, Magnus Skoglundh et al
Journal of Physical Chemistry C. Vol. 126 (38), p. 16164-16171
Journal article
2022

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

Noemi Bosio, Andreas Schaefer, Henrik Grönbeck
Journal of physics. Condensed matter : an Institute of Physics journal. Vol. 34 (17)
Journal article
2022

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

Lin Chen, Pedro Moura, J. Will Medlin et al
Angewandte Chemie - International Edition. Vol. 61 (51)
Journal article
2022

In situ DRIFT studies on N2O formation over Cu-functionalized zeolites during ammonia-SCR

Ghodsieh Isapour Toutizad, Aiyong Wang, Joonsoo Han et al
Catalysis Science and Technology. Vol. 12 (12), p. 3921-3936
Journal article
2022

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

Minttu Maria Kauppinen, Alvaro Posada Borbon, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 126 (36), p. 15235-15246
Journal article
2021

Reduced Carbon Monoxide Saturation Coverage on Vicinal Palladium Surfaces: The Importance of the Adsorption Site

Fernando Garcia-Martinez, Elisabeth Dietze, F. Schiller et al
Journal of Physical Chemistry Letters. Vol. 12 (39), p. 9508-9515
Journal article
2021

Direct measurement of enthalpy and entropy changes in NH3 promoted O2 activation over Cu−CHA at low temperature

Xueting Wang, Lin Chen, Peter Vennestrøm et al
ChemCatChem. Vol. 13 (11), p. 2577-2582
Journal article
2021

Resolving multifrequential oscillations and nanoscale interfacet communication in single-particle catalysis

Y. Suchorski, Johannes Zeininger, S. Buhr et al
Science. Vol. 372 (6548), p. 1314-1318
Journal article
2021

Coexisting multi-states in catalytic hydrogen oxidation on rhodium

P. Winkler, Johannes Zeininger, M. Raab et al
Nature Communications. Vol. 12 (1)
Journal article
2021

Single-Particle Catalysis: Revealing Intraparticle Pacemakers in Catalytic H<inf>2</inf>Oxidation on Rh

Johannes Zeininger, Y. Suchorski, M. Raab et al
ACS Catalysis. Vol. 11 (15), p. 10020-10027
Journal article
2021

Real-time imaging of Na+ reversible intercalation in "Janus" graphene stacks for battery applications

Jinhua Sun, Matthew Sadd, Philip Edenborg et al
Science advances. Vol. 7 (22)
Journal article
2021

A First-Principles-Based Microkinetic Study of CO<inf>2</inf>Reduction to CH<inf>3</inf>OH over In<inf>2</inf>O<inf>3</inf>(110)

Alvaro Posada Borbon, Henrik Grönbeck
ACS Catalysis. Vol. 11 (15), p. 9996-10006
Journal article
2021

Role of hydroxylation for the atomic structure of a non-polar vicinal zinc oxide

Elin Grånäs, Michael Busch, Björn Arndt et al
Communications Chemistry. Vol. 4 (1)
Journal article
2021

Reaction mechanism for methane-to-methanol in CU-SSZ-13: First-principles study of the Z<inf>2</inf>[Cu<inf>2</inf>O] and Z<inf>2</inf>[Cu<inf>2</inf>oh] motifs

Unni Engedahl, Adam Arvidsson, Henrik Grönbeck et al
Catalysts. Vol. 11 (1), p. 1-12
Journal article
2021

Complete Reaction Cycle for Methane-to-Methanol Conversion over Cu-SSZ-13: First-Principles Calculations and Microkinetic Modeling

Unni Engedahl, Astrid Boje, Henrik Ström et al
Journal of Physical Chemistry C. Vol. 125 (27), p. 14681-14688
Journal article
2021

On the signatures of oxygen vacancies in O1s core level shifts

Alvaro Posada Borbon, Noemi Bosio, Henrik Grönbeck
Surface Science. Vol. 705
Journal article
2021

A First-Principles Microkinetic Model for Low-Temperature NH3 Assisted Selective Catalytic Reduction of NO over Cu-CHA

Yingxin Feng, Xueting Wang, Ton V. W. Janssens et al
ACS Catalysis. Vol. 11 (23), p. 14395-14407
Journal article
2021

Interplay between CO Disproportionation and Oxidation: On the Origin of the CO Reaction Onset on Atomic Layer Deposition-Grown Pt/ZrO2Model Catalysts

Verena Pramhaas, Matteo Roiaz, Noemi Bosio et al
ACS Catalysis. Vol. 11 (1), p. 208-214
Journal article
2021

On the Reaction Mechanism of Direct H<inf>2</inf>O<inf>2</inf>Formation over Pd Catalysts

Lin Chen, J. Will Medlin, Henrik Grönbeck
ACS Catalysis. Vol. 11 (5), p. 2735-2745
Journal article
2021

The Role of H+- and Cu+-Sites for N2O Formation during NH3-SCR over Cu-CHA

Yingxin Feng, Ton V. W. Janssens, Peter N. R. Vennestrom et al
Journal of Physical Chemistry C. Vol. 125 (8), p. 4595-4601
Journal article
2020

Sensitivity of Monte Carlo Simulations to Linear Scaling Relations

Noemi Bosio, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 124 (22), p. 11952-11959
Journal article
2020

Hydrogen adsorption on In2O3(111) and In2O3(110)

Alvaro Posada Borbon, Henrik Grönbeck
Physical Chemistry Chemical Physics. Vol. 22 (28), p. 16193-16202
Journal article
2020

A Complete Multisite Reaction Mechanism for Low-Temperature NH3-SCR over Cu-CHA

Lin Chen, Ton V. W. Janssens, Peter N. R. Vennestrom et al
ACS Catalysis. Vol. 10 (10), p. 5646-5656
Journal article
2020

Structure of two-dimensional Fe3O4

L. R. Merte, Pär A.T. Olsson, M. Shipilin et al
Journal of Chemical Physics. Vol. 152 (11), p. 114705-
Journal article
2020

Unraveling the Surface Chemistry and Structure in Highly Active Sputtered Pt3Y Catalyst Films for the Oxygen Reduction Reaction

Rosemary Brown, Mykhailo Vorokhta, Ivan Khalakhan et al
ACS Applied Materials & Interfaces. Vol. 12 (4), p. 4454-4462
Journal article
2020

Structure-Dependent Strain Effects

Elisabeth Dietze, Henrik Grönbeck
ChemPhysChem. Vol. 21 (21), p. 2407-2410
Journal article
2020

Stability, magnetic order, and electronic properties of ultrathin Fe3O4 nanosheets

Par A. T. Olsson, Lindsay R. Merte, Henrik Grönbeck
Physical Review B. Vol. 101 (15)
Journal article
2019

Perspectives on Computational Catalysis for Metal Nanoparticles

Mikkel Jørgensen, Henrik Grönbeck
ACS Catalysis. Vol. 9 (10), p. 8872-8881
Journal article
2019

Revealing Carbon Phenomena at Palladium Nanoparticles by Analyzing the Work Function

Henrik Grönbeck, Clemens Barth
Journal of Physical Chemistry C. Vol. 123 (7), p. 4360-4370
Journal article
2019

Oxygen Adsorption on Graphene-Encapsulated Palladium Nanoparticles Imaged by Kelvin Probe Force Microscopy

Henrik Grönbeck, Clemens Barth
Journal of Physical Chemistry C. Vol. 123 (40), p. 24615-24625
Journal article
2019

A comparative test of different density functionals for calculations of NH3-SCR over Cu-Chabazite

Lin Chen, Ton Janssens, Henrik Grönbeck
Physical Chemistry Chemical Physics. Vol. 21 (21), p. 10923-10930
Journal article
2019

Surface-structure libraries: multifrequential oscillations in catalytic hydrogen oxidation on rhodium

Y. Suchorski, Martin Datler, Ivan Bespalov et al
Journal of Physical Chemistry C. Vol. 123 (7), p. 4217-4227
Journal article
2019

Correlation between Ethylene Adsorption Energies and Core-Level Shifts for Pd Nanoclusters

Alexey A. Tal, Alvaro Posada Borbon, Henrik Grönbeck et al
Journal of Physical Chemistry C. Vol. 123 (4), p. 2544-2548
Journal article
2019

First-principles study of oxidation state and coordination of Cu-Dimers in Cu-SSZ-13 during methane-to-methanol reaction conditions

Unni Engedahl, Henrik Grönbeck, Anders Hellman
Journal of Physical Chemistry C. Vol. 123 (43), p. 26145-26150
Journal article
2019

Interpretation of NH 3 -TPD Profiles from Cu-CHA Using First-Principles Calculations

Lin Chen, Ton Janssens, Magnus Skoglundh et al
Topics in Catalysis. Vol. 62 (1-4), p. 93-99
Journal article
2019

A dimer path for CO dissociation on PtSn

Matthias Vandichel, Henrik Grönbeck
Catalysis Science and Technology. Vol. 9 (3), p. 695-701
Journal article
2019

Strain affects CO oxidation on metallic nanoparticles non-linearly

Mikkel Jørgensen, Henrik Grönbeck
Topics in Catalysis. Vol. 62 (7-11), p. 660-668
Journal article
2019

Selective Acetylene Hydrogenation over Single-Atom Alloy Nanoparticles by Kinetic Monte Carlo

Mikkel Jørgensen, Henrik Grönbeck
Journal of the American Chemical Society. Vol. 141 (21), p. 8541-8549
Journal article
2019

Multiscale reactor modelling of total pressure effects on complete methane oxidation over Pd/Al2O3

Carl-Robert Florén, Per-Anders Carlsson, Derek Creaser et al
Catalysis Science and Technology. Vol. 9 (12), p. 3055-3065
Journal article
2019

CO2 adsorption on hydroxylated In2O3(110)

Alvaro Posada Borbon, Henrik Grönbeck
Physical Chemistry Chemical Physics. Vol. 21 (39), p. 21698-21708
Journal article
2018

Tight-Binding Approximation-Enhanced Global Optimization

Maxime van den Bossche, Henrik Grönbeck, Bjørk Hammer
Journal of Chemical Theory and Computation. Vol. 14 (5), p. 2797-2807
Journal article
2018

Thin water films and particle morphology evolution in nanocrystalline MgO

Daniel Thomele, Amir R. Gheisi, Matthias Niedermaier et al
Journal of the American Ceramic Society. Vol. 101 (11), p. 4994-5003
Journal article
2018

Se-C Cleavage of Hexane Selenol at Steps on Au(111)

Zahra Besharat, Milad Ghadami Yazdi, Deborah Wakeham et al
Langmuir. Vol. 34 (8), p. 2630-2636
Journal article
2018

Influence of atomic site-specific strain on catalytic activity of supported nanoparticles

Torben Nilsson Pingel, Mikkel Jørgensen, Andrew Yankovich et al
Nature Communications. Vol. 9 (1)
Journal article
2018

Activation of oxygen on (NH3–Cu–NH3)+ in NH3-SCR over Cu-CHA

Lin Chen, Hanne Falsig, Ton Janssens et al
Journal of Catalysis. Vol. 358, p. 179-186
Journal article
2018

The Site‐Assembly Determines Catalytic Activity of Nanoparticles

Mikkel Jørgensen, Henrik Grönbeck
Angewandte Chemie - International Edition. Vol. 57 (18), p. 5086-5089
Journal article
2018

Fuel Cell Measurements with Cathode Catalysts of Sputtered Pt3Y Thin Films

Niklas Lindahl, Björn Eriksson, Henrik Grönbeck et al
ChemSusChem. Vol. 11 (9), p. 1438-1445
Journal article
2018

A chemical view on X-ray photoelectron spectroscopy: the ESCA molecule and surface-to-bulk XPS shifts

Francisco A Delesma, Maxime van den Bossche, Henrik Grönbeck et al
ChemPhysChem. Vol. 19 (2), p. 169-174
Journal article
2018

The Influence of Inert Ions on the Reactivity of Manganese Oxides

Michael Busch, Baochang Wang, Anders Hellman et al
Journal of Physical Chemistry C. Vol. 122 (1), p. 216-226
Journal article
2018

Modelling complete methane oxidation over palladium oxide in a porous catalyst using first-principles surface kinetics

Carl-Robert Florén, Maxime van den Bossche, Derek Creaser et al
Catalysis Science and Technology. Vol. 8 (2), p. 508-520
Journal article
2018

Effect of Al-distribution on oxygen activation over Cu-CHA

Lin Chen, Hanne Falsig, Ton Janssens et al
Catalysis Science and Technology. Vol. 8 (8), p. 2131-2136
Journal article
2018

Steps Control the Dissociation of CO2 on Cu(100)

Benjamin Hagman, Alvaro Posada Borbon, Andreas Schaefer et al
Journal of the American Chemical Society. Vol. 140 (40), p. 12974-12979
Journal article
2018

Oxygen step-response experiments for methane oxidation over Pd/Al2O3: An in situ XAFS study

Johan Nilsson, Per-Anders Carlsson, Natalia Mihaela Martin et al
Catalysis Communications. Vol. 109, p. 24-27
Journal article
2018

Initial oxidation of Cu(100) studied by X-ray photo-electron spectroscopy and density functional theory calculations

Alvaro Posada Borbon, Benjamin Hagman, Andreas Schaefer et al
Surface Science. Vol. 675, p. 64-69
Journal article
2018

Adsorption of NO on Fe3O4(111)

Michael Busch, Vikram Mehar, L. R. Merte et al
Chemical Physics Letters. Vol. 693, p. 84-87
Journal article
2018

Understanding the Intrinsic Surface Reactivity of Single-Layer and Multilayer PdO(101) on Pd(100)

Vikram Mehar, Minkyu Kim, M. Shipilin et al
ACS Catalysis. Vol. 8 (9), p. 8553-8567
Journal article
2018

Monte Carlo Potential Energy Sampling for Molecular Entropy in Zeolites

Mikkel Jørgensen, Lin Chen, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 122 (35), p. 20351-20357
Journal article
2018

Visualizing catalyst heterogeneity by a multifrequencial oscillating reaction

M. Datler, Y. Suchorski, I. Bespalov et al
Nature Communications. Vol. 9 (1)
Journal article
2018

MonteCoffee: A programmable kinetic Monte Carlo framework

Mikkel Jørgensen, Henrik Grönbeck
Journal of Chemical Physics. Vol. 149 (11)
Journal article
2018

Electrooxidation of Glycerol on Gold in Acidic Medium: A Combined Experimental and DFT Study

Mikael Valter, Michael Busch, Björn Wickman et al
Journal of Physical Chemistry C. Vol. 122 (19), p. 10489-10494
Journal article
2018

CO Oxidation at SnO2/Pt3Sn(111) Interfaces

Matthias Vandichel, Henrik Grönbeck
Topics in Catalysis. Vol. 61 (14), p. 1458-1464
Journal article
2017

Mobility of copper in zeolite-based SCR catalysts

Magnus Skoglundh, Soran Shwan, Lin Chen et al
Presented at the 25th North American Catalysis Society Meeting, Denver, Colorado, USA, June 4-9 2017
Paper in proceeding
2017

Strain Dependent Light-off Temperature in Catalysis Revealed by Planar Laser-Induced Fluorescence

S. Blomberg, Johan Zetterberg, Jianfeng Zhou et al
ACS Catalysis. Vol. 7 (1), p. 110-114
Journal article
2017

High Specific and Mass Activity for the Oxygen Reduction Reaction for Thin Film Catalysts of Sputtered Pt3Y

Niklas Lindahl, E. Zamburlini, Ligang Feng et al
Advanced Materials Interfaces. Vol. 4 (13)
Journal article
2017

Methane oxidation over Pd/Al2O3 under rich/lean cycling followed by operando XAFS and modulation excitation spectroscopy

Johan Nilsson, Per-Anders Carlsson, Natalia Mihaela Martin et al
Journal of Catalysis. Vol. 356, p. 237-245
Journal article
2017

Adsorbate Pairing on Oxide Surfaces: Influence on Reactivity and Dependence on Oxide, Adsorbate Pair, and Density Functional

Maxime van den Bossche, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 121 (15), p. 8390-8398
Journal article
2017

Fe Oxides on Ag Surfaces: Structure and Reactivity

Mikhail Shipilin, Edvin Lundgren, Johan Gustafson et al
Topics in Catalysis. Vol. 60 (6-7), p. 492-502
Journal article
2017

Catalysis at the Rim: A Mechanism for Low Temperature CO Oxidation over Pt3Sn

Matthias Vandichel, Alina Moscu, Henrik Grönbeck
ACS Catalysis. Vol. 7 (11), p. 7431-7441
Journal article
2017

Metal dimer sites in ZSM-5 zeolite for methane-to-methanol conversion from first-principles kinetic modelling: is the [Cu-O-Cu]2+ motif relevant for Ni, Co, Fe, Ag, and Au?

Adam Arvidsson, Vladimir Zhdanov, Per-Anders Carlsson et al
Catalysis Science and Technology. Vol. 7 (7), p. 1470-1477
Journal article
2017

Scaling Relations and Kinetic Monte Carlo Simulations To Bridge the Materials Gap in Heterogeneous Catalysis

Mikkel Jørgensen, Henrik Grönbeck
ACS Catalysis. Vol. 7 (8), p. 5054-5061
Journal article
2017

Cluster Size Effects in Ethylene Hydrogenation over Palladium

Alvaro Posada Borbon, Christopher Heard, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 121 (20), p. 10870-10875
Journal article
2017

Preface (Topics in Catalysis)

Jason F. Weaver, Henrik Grönbeck
Topics in Catalysis. Vol. 60 (6-7), p. 381-
Other text in scientific journal
2017

Copper mobility in zeolite-based SCR catalysts

Magnus Skoglundh, Soran Shwan, Lin Chen et al
Presented at the 254th American Chemical Society National Meeting & Exposition, Washington D.C., USA, August 20-24, 2017
Paper in proceeding
2017

First Principles Calculations of Palladium Nanoparticle XANES Spectra

Johan Nilsson, Per-Anders Carlsson, Henrik Grönbeck et al
Topics in Catalysis. Vol. 60 (3-5), p. 283-288
Journal article
2017

2D-3D structural transition in sub-nanometer Pt-N clusters supported on CeO2(111)

Lauro Oliver Paz-Borbon, A. López-Martínez, I.L. Garzón et al
Physical Chemistry Chemical Physics. Vol. 19 (27), p. 17845-17855
Journal article
2017

Adsorbate Entropies with Complete Potential Energy Sampling in Microkinetic Modeling

Mikkel Jørgensen, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 121 (13), p. 7199-7207
Journal article
2017

Dissociative adsorption of CO2 on Cu(100)

Benjamin Hagman, Andreas Schaefer, Chu Zhang et al
Other conference contribution
2017

Connection between macroscopic kinetic measurables and the degree of rate control

Mikkel Jørgensen, Henrik Grönbeck
Catalysis Science and Technology. Vol. 7 (18), p. 4034-4040
Journal article
2017

Correspondence: On the bonding in ligand-protected gold clusters

Henrik Grönbeck
Nature Communications. Vol. 8 (1)
Other text in scientific journal
2016

Pt Nanoparticle Sintering and Redispersion on a Heterogeneous Nanostructured Support

Pooya Tabib Zadeh Adibi, Torben Pingel, Eva Olsson et al
Journal of Physical Chemistry C. Vol. 120 (27), p. 14918-14925
Journal article
2016

Mechanism for Solid-State Ion-Exchange of Cu+ into Zeolites

Lin Chen, Jonas Jansson, Magnus Skoglundh et al
Journal of Physical Chemistry C. Vol. 120 (51), p. 29182-29189
Journal article
2016

Methyl crotonate hydrogenation over Pt: Effects of support and metal dispersion

Hu Chaoquan, Derek Creaser, Sheedeh Fouladvand et al
Applied Catalysis A: General. Vol. 511, p. 106-116
Journal article
2016

PtY thin films as highly active catalysts for oxygen reduction reaction

N. Lindahl, E Zumburlini, L. Feng et al
European Materials Research Society 2016 Spring meeting, Lille, France, May 2 - 5, 2016
Paper in proceeding
2016

Understanding the Phase Diagram of Self-Assembled Monolayers of Alkanethiolates on Gold

Joakim Löfgren, Henrik Grönbeck, Kasper Moth-Poulsen et al
Journal of Physical Chemistry C. Vol. 120 (22), p. 12059-12067
Journal article
2016

Structural and Energetic Trends of Ethylene Hydrogenation over Transition Metal Surfaces

Christopher Heard, Samira Siahrostami, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 120 (2), p. 995-1003
Journal article
2016

First-Principles Microkinetic Modeling of Methane Oxidation over Pd(100) and Pd(111)

Mikkel Jørgensen, Henrik Grönbeck
ACS Catalysis. Vol. 6 (10), p. 6730-6738
Journal article
2016

TiOx thin films grown on Pd(100) and Pd(111) by chemical vapor deposition

M. H. Farstad, D. Raggazzon, Henrik Grönbeck et al
Surface Science. Vol. 649, p. 80-89
Journal article
2016

Plasmonic Nanospectroscopy of Platinum Catalyst Nanoparticle Sintering in a Mesoporous Alumina Support

Pooya Tabib Zadeh Adibi, Torben Pingel, Eva Olsson et al
ACS Nano. Vol. 10 (5), p. 5063-5069
Journal article
2016

Tuning the Reactivity of Ultrathin Oxides: NO Adsorption on Monolayer FeO(111)

Lindsay R. Merte, Christopher Heard, Feng Zhang et al
Angewandte Chemie - International Edition. Vol. 55 (32), p. 9267-9271
Journal article
2016

Kinetic Regimes in Ethylene Hydrogenation over Transition-Metal Surfaces

Christopher Heard, Hu Chaoquan, Magnus Skoglundh et al
ACS Catalysis. Vol. 6 (5), p. 3277-3286
Journal article
2016

Partial oxidation of methane to methanol over ZSM-5 from first-principles

Adam Arvidsson, Per-Anders Carlsson, Henrik Grönbeck et al
ACS, San Diego, USA, March, 2016
Paper in proceeding
2016

Reversed Hysteresis during CO Oxidation over Pd75Ag25(100)

V. R. Fernandes, Maxime van den Bossche, J. Knudsen et al
ACS Catalysis. Vol. 6 (7), p. 4154-4161
Journal article
2016

Chemical properties of metal oxide films

Henrik Grönbeck
Workshop on “Structure of Ultra-Thin Films of Oxides on Metal Surfaces”, Avila, Spain, June 27-30
Paper in proceeding
2016

Stress relaxation and catalysis

Henrik Grönbeck
CMD26 mini-colloquium "Catalytic Surface Science", September 5-9, 2016, Groningen, The Netherlands
Paper in proceeding
2016

First principles catalysis

Henrik Grönbeck
EPSRC-Toucan Grant International Conference on “Shaping Nanocatalysts”, December 14-16, 2016, London, UK
Paper in proceeding
2016

Hydrogenation and oxidation over palladium clusters and surfaces

Henrik Grönbeck
ISSPIC XVIII - International Symposium on Small Particles and Inorganic Clusters, Jyväskylä, Finland August 14-19
Paper in proceeding
2016

Importance of attractive pair interactions in reactions on metal oxide surfaces

Henrik Grönbeck
American Chemical Society National Meeting, San Diego, USA, March 13-17
Paper in proceeding
2015

Size Effects in MgO Cube Dissolution

S. O. Baumann, J. Schneider, A. Sternig et al
Langmuir. Vol. 31 (9), p. 2770-2776
Journal article
2015

Selectivity and kinetics of methyl crotonate hydrogenation over Pt/Al2O3

Hu Chaoquan, Derek Creaser, Henrik Grönbeck et al
Catalysis Science and Technology. Vol. 5 (3), p. 1716-1730
Journal article
2015

Interpretation of palladium XANES spectra from first-principles calculations

Johan Nilsson, Per-Anders Carlsson, Henrik Grönbeck et al
Other conference contribution
2015

Electro-oxidation of water on hematite: Effects of surface termination and oxygen vacancies investigated by first-principles

Anders Hellman, Beniamino Iandolo, Björn Wickman et al
Surface Science. Vol. 640, p. 45-49
Journal article
2015

Methane Oxidation over PdO(101) Revealed by First-Principles Kinetic Modeling

Maxime van den Bossche, Henrik Grönbeck
Journal of the American Chemical Society. Vol. 137 (37), p. 12035-12044
Journal article
2015

Trends in adsorbate induced core level shifts

Viktor Nilsson, Maxime van den Bossche, Anders Hellman et al
Surface Science. Vol. 640, p. 59-64
Journal article
2015

Oxidation at the Subnanometer Scale

Adriana Trinchero, Simon Klacar, Lauro Oliver Paz-Borbon et al
Journal of Physical Chemistry C. Vol. 119 (20), p. 10797-10803
Journal article
2015

Tunability of NOx stotage and release for different perovskite type catalysts

Norman Wilken, Brita Abrahamsson, Mike Andersson et al
10th International Congress on Catalysis and Automotive Pollution Control (CAPoC10), Brussels, Belgium, October 28-30
Paper in proceeding
2015

In situ plasmonic sensing of platinum model catalyst sintering on different oxide supports and in O2 and NO2 atmospheres with different concentrations

Pooya Tabib Zadeh Adibi, Francesco Mazzotta, Tomasz Antosiewicz et al
ACS Catalysis. Vol. 5 (1), p. 426-432
Journal article
2015

Chemistry of supported palladium nanoparticles during methane oxidation

Johan Nilsson, Per-Anders Carlsson, Sheedeh Fouladvand et al
ACS Catalysis. Vol. 5 (4), p. 2481-2489
Journal article
2015

Revealing local variations in nanoparticle size distributions in supported catalysts: a generic TEM specimen preparation method

Torben Pingel, Magnus Skoglundh, Henrik Grönbeck et al
Journal of Microscopy. Vol. 260 (2), p. 125-132
Journal article
2015

Transient Bimodal Particle Size Distributions during Pt Sintering on Alumina and Silica

Pooya Tabib Zadeh Adibi, Vladimir Zhdanov, Christoph Langhammer et al
Journal of Physical Chemistry C. Vol. 119 (2), p. 989-996
Journal article
2015

Insights on proximity effect and multiphoton induced luminescence from gold nanospheres in far field optical microscopy

Johan Borglin, Stina Guldbrand, Hanne Evenbratt et al
Applied Physics Letters. Vol. 107 (23), p. artikel nr 234101-
Journal article
2015

NOx Adsorption on ATiO(3)(001) Perovskite Surfaces

Brita Abrahamsson, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 119 (32), p. 18495-18503
Journal article
2015

Combining electrochemical and in-situ optical characterization of Pt and its alloys

N. Lindahl, L. Feng, Björn Wickman et al
3rd international workshop on degradation issues of fuel cells and electrolysers, Santorini, Greece, September 29 - October 1, 2015
Paper in proceeding
2014

Catalytic hydrogenation of C=C and C=O in unsaturated fatty acid methyl esters

Hu Chaoquan, Derek Creaser, Samira Siahrostami et al
Catalysis Science and Technology. Vol. 4 (8), p. 2427-2444
Review article
2014

Mechanism for Limiting Thickness of Thin Oxide Films on Aluminum

J. D. Baran, Henrik Grönbeck, Anders Hellman
Physical Review Letters. Vol. 112 (14)
Journal article
2014

Activity of Platinum/Carbon and Palladium/Carbon Catalysts Promoted by Ni2P in Direct Ethanol Fuel Cells

Guoqiang Li, Ligang Feng, J. F. Chang et al
ChemSusChem. Vol. 7 (12), p. 3374-3381
Journal article
2014

Metal-oxide sites for facile methane dissociation

Adriana Trinchero, Anders Hellman, Henrik Grönbeck
Physica Status Solidi - Rapid Research Letetrs. Vol. 8 (6), p. 605-609
Journal article
2014

CO Adsorption on Clean and Oxidized Pd(111)

N. M. Martin, Maxime van den Bossche, Henrik Grönbeck et al
Journal of Physical Chemistry C. Vol. 118 (2), p. 1118-1128
Journal article
2014

Anchoring of Pt and PtRu to carbon nanofibers studied by density functional theory calculations

Andrew Harris, C. M. Lukehart, Henrik Grönbeck
Carbon. Vol. 77, p. 880-885
Journal article
2014

High-Coverage Oxygen-Induced Surface Structures on Ag(111)

N. M. Martin, Simon Klacar, Henrik Grönbeck et al
Journal of Physical Chemistry C. Vol. 118 (28), p. 15324-15331
Journal article
2014

Analysis of Porphyrines as Catalysts for Electrochemical Reduction of O-2 and Oxidation of H2O

Jakub Baran, Henrik Grönbeck, Anders Hellman
Journal of the American Chemical Society. Vol. 136 (4), p. 1320-1326
Journal article
2014

Effects of non-local exchange on core level shifts for gas-phase and adsorbed molecules

Maxime van den Bossche, N. M. Martin, J. Gustafson et al
Journal of Chemical Physics. Vol. 141 (3)
Journal article
2014

Toward a Silver-Alumina Model System for NOx Reduction Catalysis

N. M. Martin, E. Erdogan, Henrik Grönbeck et al
Journal of Physical Chemistry C. Vol. 118 (42), p. 24556-24561
Journal article
2014

Intrinsic Ligand Effect Governing the Catalytic Activity of Pd Oxide Thin Films

N. M. Martin, Maxime van den Bossche, Anders Hellman et al
ACS Catalysis. Vol. 4 (10), p. 3330-3334
Journal article
2013

H-2 dissociation over Ag/Al2O3: the first step in hydrogen assisted selective catalytic reduction of NOx

Simon Klacar, Henrik Grönbeck
Catalysis Science and Technology. Vol. 3 (1), p. 183-190
Journal article
2013

Water desorption from nanostructured graphite surfaces

Anna Clemens, Lars Hellberg, Henrik Grönbeck et al
Physical Chemistry Chemical Physics. Vol. 15 (47), p. 20456-20462
Journal article
2013

Generation and oxidation of aerosol deposited PdAg nanoparticles

S. Blomberg, J. Gustafson, N. M. Martin et al
Surface Science. Vol. 616, p. 186-191
Journal article
2013

Facile NOx interconversion over preoxidized Ag(111)

Simon Klacar, N. M. Martin, J. Gustafson et al
Surface Science. Vol. 617, p. 167-174
Journal article
2013

Efficient hydrogenation over single-site bimetallic RuSn clusters

Lauro Oliver Paz-Borbon, Anders Hellman, J. M. Thomas et al
Physical Chemistry Chemical Physics. Vol. 15 (24), p. 9694-9700
Journal article
2013

Methane oxidation over Pd supported on ceria–alumina under rich/lean cycling conditions

Sheedeh Fouladvand, Stefan Schernich, Jörg Libuda et al
Topics in Catalysis. Vol. 56 (1-8), p. 410-415
Journal article
2013

Methane oxidation over Pd and Pt studied by DFT and kinetic modeling

Adriana Trinchero, Anders Hellman, Henrik Grönbeck
Surface Science. Vol. 616, p. 206-213
Journal article
2013

Anchoring of PtRu particles to graphitic carbon nanofibers studied by density functional theory calculations

Andrew Harris, C. M. Lukehart, Henrik Grönbeck
Abstract of Papers of the American Chemical Society. Vol. 246 (279-ENFL)
Other conference contribution
2013

Dissociative Adsorption of Hydrogen on PdO(101) Studied by HRCLS and DFT

N. M. Martin, Maxime van den Bossche, Henrik Grönbeck et al
Journal of Physical Chemistry C. Vol. 117 (26), p. 13510-13519
Journal article
2012

The active phase of palladium during methane oxidation

Henrik Grönbeck
Proceedings of International CRC symposium on Green and Sustainable Chemistry, Sapporo, Japan January 26-27, 2012.
Paper in proceeding
2012

Methane oxidation over Pd supported on ceria-alumina

Sheedeh Fouladvand, Stefan Schernich, Jörg Libuda et al
Proceedings of the 9th International Congress on Catalysis and Automotive Pollution Control (CAPoC9), Brussels, Belgium, August 29-31
Paper in proceeding
2012

Simulated Photoemission Spectra of Hydroxylated MgO(100) at Elevated Temperatures

Lauro Oliver Paz-Borbon, Anders Hellman, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 116 (5), p. 3545 - 3551
Journal article
2012

Lärcentrerad undervisningsplanering som metod för kursutveckling inom ramen för utbildningsprogram: Ett exempel från Teknisk fysik

Henrik Grönbeck, Tom Adawi
KUL konferensen, 11 januari 2012
Other conference contribution
2012

Study of Alkylthiolate Self-Assembled Monolayers on Au(111) using a Semilocal meta-GGA Density Functional

Lara Ferrighi, Yun-xiang Pan, Henrik Grönbeck et al
Journal of Physical Chemistry C. Vol. 116 (13), p. 7374-7379
Journal article
2012

Surface composition of clean and oxidized Pd75Ag25(100) from photoelectron spectroscopy and density functional theory calculations

L. E. Walle, Henrik Grönbeck, V. R. Fernandes et al
Surface Science. Vol. 606 (23-24), p. 1777-1782
Journal article
2012

The bonding in thiolate protected gold nanoparticles from Au4f photoemission core level shifts

Henrik Grönbeck
Nanoscale. Vol. 4 (14), p. 4178-4182
Journal article
2012

Local Catalytic Ignition during CO Oxidation on Low-Index Pt and Pd Surfaces: A Combined PEEM, MS, and DFT Study

D. Vogel, C. Spiel, Y. Suchorski et al
Angewandte Chemie - International Edition. Vol. 51 (40), p. 10041-10044
Journal article
2012

The active phase of palladium during methane oxidation: A combined DFT and surface x-ray diffraction study

Henrik Grönbeck
Proceedings of 9th International Congress on Catalysis and Automotive Pollution Control, Brussels, Belgium, August 29-21, 2012.
Paper in proceeding
2012

Low-temperature methane oxidation over single crystal Pd(100)

Johan Gustafsson, Anders Hellman, A. Resta et al
9th International Congress on Catalysis and Automotive Pollution Control (CAPoC9), Brussels, Belgium, August 29-31
Paper in proceeding
2012

Mechanism for reversed photoemission core-level shifts of oxidized Ag

Henrik Grönbeck, Simon Klacar, N. M. Martin et al
Physical Review B - Condensed Matter and Materials Physics. Vol. 85 (11)
Journal article
2012

Implications of reduced system size on chemical properties

Henrik Grönbeck
Proceedings of International Symposium on Small Particles and Inorganic Clusters (ISSPIC-XVI), Leuven, Belgium, July 8-13, 2012.
Paper in proceeding
2012

Unravelling the surface state of Pd during methane oxidation

Henrik Grönbeck
Proceedings of 11th Pannonian International Symposium on Catalysis, Obergurgl, Austria, September 3-7, 2012.
Paper in proceeding
2012

The Active Phase of Palladium during Methane Oxidation

Anders Hellman, Andrea Resta, Natalia Mihaela Martin et al
Journal of Physical Chemistry Letters. Vol. 3 (6), p. 678-682
Journal article
2011

Methane oxidation over Pd supported on ceria-alumina

Sheedeh Fouladvand, Henrik Grönbeck, Per-Anders Carlsson et al
22st North American Catalysis Society Meeting (22th NAM), Detroit, USA, June 5-10, 2011
Paper in proceeding
2011

Photo- and thermal desorption of water from ice covered carbon nanostructures

Anna Clemens, Lars Hellberg, Henrik Grönbeck et al
Young Astronomer's Meeting, Paris Observatory, France; November 15, 2011
Conference poster
2011

CO Oxidation on Technological Pd-Al2O3 Catalysts: Oxidation State and Activity

K. Zorn, S. Giorgio, E. Halwax et al
Journal of Physical Chemistry C. Vol. 115 (4), p. 1103-1111
Journal article
2011

In situ studies of supported platinum catalysts for environmental applications -Mechanistic consequences of periodic operation for catalytic oxidation of CO and methane

Magnus Skoglundh, Elin Becker, Lisa Kylhammar et al
Presented at the Swedish-German Workshop on In situ X-ray Techniques, Rosersberg Castle, Sweden, October 6-7 2011
Paper in proceeding
2011

Effect of lattice strain on hydrogen diffusion in Pd: A density functional theory study

Henrik Grönbeck, Vladimir Zhdanov
Physical Review B - Condensed Matter and Materials Physics. Vol. 84 (5)
Journal article
2011

The Al50Cp*(12) Cluster - A 138-Electron Closed Shell (L=6) Superatom

P. A. Clayborne, O. Lopez-Acevedo, R. L. Whetten et al
European Journal of Inorganic Chemistry (17), p. 2649-2652
Journal article
2011

Phase Separation at the Nanoscale: Structural Properties of BaO Segregates on MgO-Based Nanoparticles

A. Sternig, Simon Klacar, J. Bernardi et al
Journal of Physical Chemistry C. Vol. 115 (32), p. 15853-15861
Journal article
2011

Low Temperature CO Oxidation over Supported Ultrathin MgO Films

Henrik Grönbeck, Anders Hellman, Simon Klacar
Proceedings of 22nd North American Catalysis Society Meeting, Detroit, USA, June 5-10, 2011
Paper in proceeding
2011

Oxidation and reduction of Pd(100) and aerosol-deposited Pd nanoparticles

R. Westerstrom, M. E. Messing, S. Blomberg et al
Physical Review B - Condensed Matter and Materials Physics. Vol. 83 (11)
Journal article
2011

Carbonate formation on p(4 x 4)-O/Ag(111)

J. Knudsen, N. M. Martin, E. Granas et al
Physical Review B - Condensed Matter and Materials Physics. Vol. 84 (11)
Journal article
2011

Combining DRIFT and DFT to characterize NOx species on Ag/α-Al2O3

Hanna Härelind Ingelsten, Anders Hellman, Hannes Kannisto et al
Presented at the 22st North American Catalysis Society Meeting (22th NAM), Detroit, USA, June 5-10, 2011
Paper in proceeding
2011

Evidence of superatom electronic shells in ligand-stabilized aluminum clusters

P. A. Clayborne, O. Lopez-Acevedo, R. L. Whetten et al
Journal of Chemical Physics. Vol. 135 (9)
Journal article
2011

Studying hydrogen storage properties of metal nanoparticles using nanoplasmonic sensing

Carl Wadell, Henrik Grönbeck, Igor Zoric et al
The 5th International Conference on Surface Plasmon Photonics (SPP5), Busan, South Korea, May 15-20, 2011
Conference poster
2010

Exceptionally Active Single-Site Nanocluster Multifunctional Catalysts for Cascade Reactions

J. M. Thomas, R. Raja, P. L. Gai et al
ChemCatChem. Vol. 2 (4), p. 402-406
Journal article
2010

Photoemission core-level shifts reveal the thiolate-Au(111) interface

Henrik Grönbeck, M. Odelius
Physical Review B - Condensed Matter and Materials Physics. Vol. 82 (8)
Journal article
2010

Thiolate Induced Reconstruction of Au(111) and Cu(111) Investigated by Density Functional Theory Calculations

Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 114 (38), p. 15973-15978
Journal article
2010

Theoretical Characterization of Cyclic Thiolated Copper, Silver, and Gold Clusters

K. A. Kacprzak, O. Lopez-Acevedo, H. Hakkinen et al
Journal of Physical Chemistry C. Vol. 114 (32), p. 13571-13576
Journal article
2010

Corrosion induced degradation of Pt/C model electrodes measured with electrochemical quartz crystal microbalance

Björn Wickman, Henrik Grönbeck, Per Hanarp et al
Journal of the Electrochemical Society. Vol. 157 (4), p. B592-B598
Journal article
2010

Structural and electronic properties of mono- and bimetallic ligand stabilized clusters

Henrik Grönbeck
Proceedings of CECAM Workshop on Nanoscale alloys: from experiment and theory to quantitative modelling, Lausanne, Switzerland, September 13-16, 2010
Paper in proceeding
2010

The structure of self-assembled thiols on gold surfaces

Henrik Grönbeck
27th European Conference on Surface Science, ECOSS27, Groningen, The Netherlands
Paper in proceeding
2010

Thiolate-Protected Au-25 Superatoms as Building Blocks: Dimers and Crystals

J. Akola, K. A. Kacprzak, O. Lopez-Acevedo et al
Journal of Physical Chemistry C. Vol. 114 (38), p. 15986-15994
Journal article
2010

Water Dissociation on MgO/Ag(100): Support Induced Stabilization or Electron Pairing?

K. Honkala, Anders Hellman, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 114 (15), p. 7070-7075
Journal article
2010

Oxidation of Small Silver Clusters: A Density Functional Theory Study

Simon Klacar, Anders Hellman, Itai Panas et al
Journal of Physical Chemistry C. Vol. 114 (29), p. 12610-12617
Journal article
2009

Structure and bonding in the ubiquitous icosahedral metallic gold cluster Au144(SR)60

O. Lopez-Acevedo, Jaakko Akola, R.L. Whetten et al
Journal of Physical Chemistry C. Vol. 113, p. 5035-5038
Journal article
2009

Regenerable sulphur traps: SOx storage and release kinetics

Lisa Kylhammar, Markus Happel, Per-Anders Carlsson et al
Proceedings of the 21st North American Meeting San Francisco, USA, June 7-12
Paper in proceeding
2009

First-principles studies of NOx chemistry on Agn/Al2O3

Anders Hellman, Henrik Grönbeck
Journal of Physical Chemistry C. Vol. 113, p. 3674-3682
Journal article
2009

SOx storage and release kinetics for ceria-supported Pt

Markus Happel, Lisa Kylhammar, Per-Anders Carlsson et al
Applied Catalysis B: Environmental. Vol. 91 (3-4), p. 679-682
Journal article
2009

Low temperature CO oxidation over supported ultrathin MgO films

Anders Hellman, Simon Klacar, Henrik Grönbeck
Journal of the American Chemical Society. Vol. 131 (46), p. 16636-16637
Journal article
2009

Characterization of iron-carbonyl-protected gold clusters

O. Lopez-Acevedo, Jyri Rintala, Suvi Virtanen et al
Journal of the American Chemical Society. Vol. 131, p. 12573-12575
Journal article
2009

Experimental and theoretical characterization of NOx species on Ag/alpha-Al2O3

Hanna Härelind Ingelsten, Anders Hellman, Hannes Kannisto et al
Journal of Molecular Catalysis A: Chemical. Vol. 314 (1-2), p. 102-109
Journal article
2008

Regenerable ceria-based SOx traps for sulfur removal in lean exhausts

Lisa Kylhammar, Per-Anders Carlsson, Hanna Härelind Ingelsten et al
Applied Catalysis B: Environmental. Vol. 83 (1-2), p. 268-276
Journal article
2008

Characterisation of NOx species on Ag/α-Al2O3 using DFT and DRIFT

Hanna Härelind Ingelsten, Anders Hellman, Hannes Kannisto et al
Presented at the 13th Nordic Symposium on Catalysis, Göteborg, Sweden, October 5-7, 2008
Paper in proceeding
2008

Charging of atoms, clusters, and molecules on metal-supported oxides: A general and long-ranged phenomenon

P. Frondelius, Anders Hellman, K. Honkala et al
Physical Review B - Condensed Matter and Materials Physics. Vol. 78 (8), p. 7-
Journal article
2008

Gold-Thiolate Complexes Form a Unique c (4x2) Structure on Au(111)

Henrik Grönbeck, Hannu Häkkinen, R.L. Whetten
Journal of Physical Chemistry 3. Vol. 112 (41), p. 15940-15942
Journal article
2008

Ab initio molecular dynamics calculations of H2O on BaO(001)

Henrik Grönbeck, Itai Panas
Physical Review B - Condensed Matter and Materials Physics. Vol. 77 (24), p. 245419-
Journal article
2008

Methane oxidation over Pt/Al2O3 – a transient in situ XANES study

Elin Becker, Per-Anders Carlsson, Henrik Grönbeck et al
Proceedings of the 13th Nordic Symposium on Catalysis, Göteborg, Sweden, October 5-7
Paper in proceeding
2008

Nickel self-diffusion in presence of ammonia and hydrogen: A density functional theory study

Johan Lif, Magnus Skoglundh, Henrik Grönbeck
13th Nordic Symposium on Catalysis, Göteborg, Sweden, October 5-7, 2008
Paper in proceeding
2008

A time-resolved in situ XANES study of transient methane oxidation over alumina supported platinum

Elin Becker, Per-Anders Carlsson, Henrik Grönbeck et al
Proceedings of the 5th International Conference on Environmental Catalysis, Belfast, UK, August 31- September 3
Paper in proceeding
2008

A unified view of ligand-protected gold clusters as superatom complexes

Michael Walter, Jaakko Akola, O. Lopez-Acevedo et al
Proceedings of the National Academy of Sciences. Vol. 105, p. 9157-
Journal article
2008

NO2 dissociation on Ag(111) revisited by theory

Anders Hellman, Itai Panas, Henrik Grönbeck
Journal of Chemical Physics. Vol. 128 (10), p. 104704-
Journal article
2008

Identifying surface species by vibrational spectroscopy: Bridging monodentate nitrates

A. Desikusumastuti, T. Staudt, Henrik Grönbeck et al
Journal of Catalysis. Vol. 255 (1), p. 127-133
Journal article
2008

Activation of Al2O3 by a Long-Ranged Chemical Bond Mechanism

Anders Hellman, Henrik Grönbeck
Physical Review Letters. Vol. 100 (11), p. 116801-
Journal article
2008

Microkinetic modelling with global thermodynamic consistency

Jonas Sjöblom, Anders Hellman, Derek Creaser et al
the 13th Nordic Symposium on Catalysis
Conference poster
2008

On the Structure of Thiolate-Protected Au25

Jaakko Akola, Michael Walter, Robert Whetten et al
Journal of the American Chemical Society. Vol. 130 (12), p. 3756-3757
Journal article
2008

Synthesis, characterization, electronic structure and catalytic performance

J.M. Thomas, R.D. Adams, E.M. Boswell et al
Faraday Discussions. Vol. 138 (1), p. 301-315
Journal article
2008

Phase Characterisation of Ag/α-Al2O3 using NO2 as probe molecule

Hanna Härelind Ingelsten, Anders Hellman, Henrik Grönbeck
Presented at 5th International Conference on Environmental Catalysis (5ICEC), Belfast, Northern Ireland, August 31 – September 3, 2008
Paper in proceeding
2007

Polymerization at the alkylthiolate-Au(111) interface

Henrik Grönbeck, Hannu Häkkinen
Journal of Physical Chemistry B. Vol. 111 (13), p. 3325-3327
Journal article
2007

Vibrational analysis of H2 and NH3 adsorption on Pt/SiO2 and Ir/SiO2 model sensors

Mikaela Wallin, Marielle Byberg, Henrik Grönbeck et al
2007 IEEE Sensors. Vol. 1-3, p. 1315-1317
Paper in proceeding
2007

Structural, Energetic, and Vibrational Properties of NOx Adsorption on Agn, n = 1-8

Henrik Grönbeck, Anders Hellman, Andreas Gavrin
Journal of Physical Chemistry A. Vol. 111, p. 6062-6067
Journal article
2007

Theoretical characterization of NOx species on Ag/Al2O3

Anders Hellman, Hanna Härelind Ingelsten, Henrik Grönbeck
Presented at 2007 Annual Meeting of COST action D41, Inorganic Oxides: Surfaces and Interfaces, Berlin, Germany, October 21-23, 2007
Paper in proceeding
2007

The transformation of BaCO3 to BaO as an initial step in NOx storage on Pt/Ba/Al2O3 catalysts

JAZAER DAWODY, Maro Travet, Henrik Grönbeck et al
13th International Symposium on Relations between Homogenous and Heterogenous Catalysis (ISHHC XIII), Berkeley, California, July 16-20, 2007
Paper in proceeding
2007

Vibrational analysis of H2 and NH3 adsorption on Pt/SiO2 and Ir/SiO2 model sensors

Mikaela Wallin, Marielle Byberg, Henrik Grönbeck et al
6th Annual IEEE Conference on Sensors, Atlanta, GA, October 28-31, 2007
Paper in proceeding
2007

Methane oxidation over alumina supported platinum investigated by time-resolved in situ XANES spectroscopy

Elin Becker, Per-Anders Carlsson, Henrik Grönbeck et al
Journal of Catalysis. Vol. 252 (1), p. 11-17
Journal article
2007

Structural and electronic properties of a trimetallic nanoparticle catalyst: Ru5PtSn

Henrik Grönbeck, J.M. Thomas
Chemical Physics Letters. Vol. 443, p. 337-341
Journal article
2006

Divide and protect: capping gold nanoclusters with molecular gold-thiolate rings

Hannu Häkkinen, Michael Walter, Henrik Grönbeck
Journal of Physical Chemistry B. Vol. 110 (20), p. 9927-9931
Journal article
2006

Mechanism for NO2 charging on metal supported MgO

Henrik Grönbeck
Journal of Physical Chemistry B. Vol. 110 (24), p. 11977-11981
Journal article
2006

Fundamental aspects of NOx adsorption on BaO

Henrik Grönbeck, Peter Broqvist, Itai Panas
Surface Science. Vol. 600, p. 403-408
Journal article
2006

Effects on the metal in the adsorption of NO2 on platinum supported BaO films

Peter Broqvist, Henrik Grönbeck
Surface Science. Vol. 600 (16), p. L214-L218
Journal article
2006

Theoretical characterization of cyclic thiolated gold clusters

Henrik Grönbeck, Michael Walter, Hannu Häkkinen
Journal of the Americal Chemical Society. Vol. 128 (31), p. 10268-10275
Journal article
2005

Comparison of the bonding in Au8 and Cu8: A density functional theory study

Henrik Grönbeck, Peter Broqvist
Physical Review B. Vol. 71 (--), p. 073408-1 - 073408-4-
Journal article
2005

The nature of NOx species on BaO(100): An ab initio molecular dynamics study

Peter Broqvist, Itai Panas, Henrik Grönbeck
Journal of Physical Chemistry B. Vol. B109, p. 15410-15416
Journal article
2005

Toward a Realistic Description of NOxStorage in BaO: The Aspect of BaCO3

Peter Broqvist, Itai Panas, Henrik Grönbeck
Journal of Physical Chemistry B. Vol. 109, p. 9613-9621
Journal article
2005

Vibrational Analysis of H2 and D2 Adsorption on Pt/SiO2

Mikaela Wallin, Henrik Grönbeck, A. Lloyd Spetz et al
Journal of Physical Chemistry B. Vol. 109 (19), p. 9581-9588
Journal article
2004

NOx storage on BaO: theory and experiment

Peter Broqvist, Henrik Grönbeck, Erik Fridell et al
Catalysis Today. Vol. 96 (1-2), p. 71-78
Journal article
2004

Promoting and poisoning effects of Na and Cl coadsorption on CO oxidation over MgO-supported Au nanoparticles

Peter Broqvist, L. M. Molina, Henrik Grönbeck et al
Journal of Catalysis. Vol. 227 (1), p. 217-226
Journal article
2004

CO bonded platinum: effects of semi-core polarization

Henrik Grönbeck
Surface Science. Vol. 559 (2-3), p. 214-222
Journal article
2004

Characterization of NOx species adsorbed on BaO: Experiment and theory

Peter Broqvist, Henrik Grönbeck, Erik Fridell et al
Journal of Physical Chemistry B. Vol. 108 (11), p. 3523-3530
Journal article
2004

Surface properties of alkaline earth metal oxides

Peter Broqvist, Henrik Grönbeck, Itai Panas
Surface Science. Vol. 554 (2-3), p. 262-271
Journal article
2004

First principles studies of metal-oxide surfaces

Henrik Grönbeck
Topics in Catalysis. Vol. 28 (1-4), p. 59-69
Journal article
2004

Vibrational study of ammonia adsorption on Pt/SiO2

Mikaela Wallin, Henrik Grönbeck, A. Lloyd Spetz et al
Applied Surface Science. Vol. 235 (4), p. 487-500
Journal article
2003

Pt and Pt2 on MgO(100) and BaO(100): Structure, Bonding and Chemical Properties

Henrik Grönbeck, Peter Broqvist
Journal of Chemical Physics. Vol. 119, p. 3896-
Journal article
2003

CO-induced modification of the metal/MgO(100) interaction

Henrik Grönbeck, Peter Broqvist
Journal of Physical Chemistry B. Vol. 107, p. 12239-12243
Journal article

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Showing 19 research projects

2020–2022

Reaktionsmekanism och hastighetsbestämmande steg i elektrokemiska legeringar för kvicksilverrening av vatten

Björn Wickman Chemical Physics
Henrik Grönbeck Chemical Physics
Teodora Retegan Vollmer Nuclear Chemistry
Formas

1 publication exists
2019–2022

Reducing N2O emissions during NH3-SCR over Cu-exchanged zeolites

Henrik Grönbeck Chemical Physics
Swedish Energy Agency

1 publication exists
2018–2021

The Competence Centre for Catalysis, KCK

Hanna Härelind Applied Chemistry
Anders Hellman Chemical Physics
Louise Olsson Chemical Technology
Per-Anders Carlsson Per-Anders Carlsson Group
Magnus Skoglundh Polymer Technology
Derek Creaser Chemical Process and Reaction Engineering
Henrik Grönbeck Chemical Physics
Eva Olsson Eva Olsson Group
Umicore
Scania CV AB
Swedish Energy Agency
ECAPS AB
Chalmers
Volvo Group
Volvo Cars
Johnson Matthey AB
Preem

13 publications exist
2017–2020

Catalytic activity from first principles

Henrik Grönbeck Chemical Physics
Swedish Research Council (VR)

9 publications exist
2016–2021

Atomistic Design of Catalysts

Magnus Skoglundh Applied Surface Chemistry
Per-Anders Carlsson Applied Surface Chemistry
Henrik Grönbeck Chemical Physics
Anders Hellman Chemical Physics
Knut and Alice Wallenberg Foundation

16 publications exist
2016–2019

In situ högenergetisk röntgendiffraktion från elektrokemiska material

Henrik Grönbeck Chemical Physics
Swedish Research Council (VR)

2 publications exist
2014–2017

Competence Centre for Catalysis

Magnus Skoglundh Applied Surface Chemistry
Derek Creaser Chemical Reaction Engineering
Anders Hellman Chemical Physics
Henrik Grönbeck Chemical Physics
Hanna Härelind Applied Surface Chemistry
Eva Olsson Eva Olsson Group
Per-Anders Carlsson Applied Surface Chemistry
Louise Olsson Chemical Reaction Engineering
Chalmers
Swedish Energy Agency
Volvo Group
Volvo Cars
ECAPS AB
Scania CV AB
Haldor Topsoe
Wärtsilä Finland

26 publications exist
2014–2016

En teoretisk studie av reaktivitet samt dynamik på ytor

Henrik Grönbeck Chemical Physics
Simon Klacar Chemical Physics
Swedish Research Council (VR)

2013–2017

NACORR - New alloy catalysts for the oxygen reduction reaction in proton exchange membrane fuel cells.

Henrik Grönbeck Chemical Physics
Ministry of Higher Education and Science, Denmark

2013–2017

Time-resolved in situ methods for design of catalytic sites within sustainable chemistry

Per-Anders Carlsson Applied Chemistry
Magnus Skoglundh Applied Chemistry
Anders Hellman Chemical Physics
Henrik Grönbeck Chemical Physics
Swedish Research Council (VR)

31 publications exist
2013–2014

Framtagande av science cases för e-infrastruktur i Sverige (utredningsuppdrag)

Henrik Grönbeck Chemical Physics
Swedish Research Council (VR)

2012–2015

Unravelling catalytically active sites with X-ray absorption spectroscopy

Magnus Skoglundh Applied Surface Chemistry
Henrik Grönbeck Chemical Physics
Per-Anders Carlsson Applied Surface Chemistry
Swedish Research Council (VR)

4 publications exist
2011–2015

Catalysis on the atomic scale

Henrik Grönbeck Chemical Physics
Swedish Research Council (VR)

2010–2013

Competence Centre for Catalysis

Per-Anders Carlsson Applied Surface Chemistry
Krister Holmberg Applied Surface Chemistry
Hanna Härelind Applied Surface Chemistry
Eva Olsson Eva Olsson Group
Bengt Herbert Kasemo Chemical Physics
Anders Hellman Chemical Physics
Bengt Andersson Chemical Reaction Engineering
Derek Creaser Chemical Reaction Engineering
Henrik Grönbeck Chemical Physics
Magnus Skoglundh Applied Surface Chemistry
Louise Olsson Chemical Reaction Engineering
Volvo Cars
Volvo Group
ECAPS AB
Saab
Scania CV AB
Haldor Topsoe
Chalmers
Swedish Energy Agency

2 publications exist
2009–2013

Catalysts for demanding environments

Magnus Skoglundh Applied Surface Chemistry
Hanna Härelind Applied Surface Chemistry
Anders Hellman Chemical Physics
Henrik Grönbeck Chemical Physics
Per-Anders Carlsson Applied Surface Chemistry
Swedish Foundation for Strategic Research (SSF)

5 publications exist
2009–2011

Studies of the detection mechanism of FET gas sensors

Magnus Skoglundh Chemistry and Chemical Engineering
Henrik Grönbeck Physics
Per-Anders Carlsson Chemistry and Chemical Engineering
Swedish Research Council (VR)

2006–2009

Energy efficient reduction of exhaust emissions from vehicles: E4 Mistra

Anders Palmqvist Applied Surface Chemistry
Hanna Härelind Applied Surface Chemistry
Henrik Grönbeck Chemical Physics
The Swedish Foundation for Strategic Environmental Research (Mistra)

2006–2009

Competence Centre for Catalysis

Magnus Skoglundh Chemistry and Chemical Engineering
Bengt Andersson Chemistry and Chemical Engineering
Bengt Herbert Kasemo Chemical Physics
Anders Hellman Physics
Per-Anders Carlsson Chemistry and Chemical Engineering
Hanna Härelind Chemistry and Chemical Engineering
Louise Olsson Chemistry and Chemical Engineering
Henrik Grönbeck Physics
Derek Creaser Chemistry and Chemical Engineering
Krister Holmberg Chemistry and Chemical Engineering
Haldor Topsoe
Perstorp AB
Swedish Energy Agency
Chalmers
Scania CV AB
ECAPS AB
Volvo Group
General Motors Powertrain Sweden AB
Volvo Cars

2006–2008

Studies of the detection mechanism of MISiCFET gas sensors

Magnus Skoglundh Chemistry and Chemical Engineering
Per-Anders Carlsson Chemistry and Chemical Engineering
Henrik Grönbeck Physics
Swedish Research Council (VR)

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