Henrik Grönbeck

Professor at Department of Physics, 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

Projects

2013–2017

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

Per-Anders Carlsson Department of Chemical and Biological Engineering, Applied Surface Chemistry
Magnus Skoglundh Department of Chemical and Biological Engineering, Applied Surface Chemistry
Henrik Grönbeck Department of Applied Physics, Chemical Physics
Anders Hellman Department of Applied Physics, Chemical Physics
Swedish Research Council (VR)

There might be more projects where Henrik Grönbeck participates, but you have to be logged in as a Chalmers employee to see them.

Publications

2017

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

S. Blomberg, J. Zetterberg, J. F. Zhou et al
Acs Catalysis. Vol. 7 (1), p. 110-114
Scientific journal article - peer reviewed
2017

Strain dependent light-off temperature in catalysis revealed by planar laser-induced fluorescence

Sara Blomberg, Johan Zetterberg, Jianfeng Zhou et al
ACS Catalysis. Vol. 7, p. 110
Scientific journal article - peer reviewed
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
Conference paper - peer reviewed
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
Conference paper - peer reviewed
2016

First principles catalysis

Henrik Grönbeck,
EPSRC-Toucan Grant International Conference on “Shaping Nanocatalysts”, December 14-16, 2016, London, UK
Conference paper - peer reviewed
2016

Stress relaxation and catalysis

Henrik Grönbeck,
CMD26 mini-colloquium "Catalytic Surface Science", September 5-9, 2016, Groningen, The Netherlands
Conference paper - peer reviewed
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
Conference paper - peer reviewed
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
Conference paper - peer reviewed
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
Conference paper - peer reviewed
2016

Fe Oxides on Ag Surfaces: Structure and Reactivity

Mikhail Shipilin, Edvin Lundgren, Johan Gustafson et al
Topics in catalysis
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
2016

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

Mikkel Jørgensen, Henrik Grönbeck,
ACS Catalysis. Vol. 6, p. 6730–6738
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
2016

Kinetic Regimes in Ethylene Hydrogenation over Transition-Metal Surfaces

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

Interpretation of palladium XANES spectra from first principles calculations

Johan Nilsson, Per-Anders Carlsson, Henrik Grönbeck et al
Topics in Catalysis (accepted)
Scientific journal article - peer reviewed
2016

Structural and Energetic Trends of Ethylene Hydrogenation over Transition Metal Surfaces

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

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

Chaoquan Hu, Derek Creaser, Sheedeh Fouladvand et al
Applied Catalysis A : General. Vol. 511, p. 106-116
Scientific journal article - peer reviewed
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
Conference paper - peer reviewed
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
Conference paper - peer reviewed
2015

Interpretation of palladium XANES spectra from first-principles calculations

Johan Nilsson, Per-Anders Carlsson, Henrik Grönbeck et al
Presented at the 16th International Conference on X-ray Absorption Fine Structure (xafs16), Karlsruhe, Germany, August 23-28, 2015.
Conference paper - non peer reviewed
2015

Interpretation of palladium XANES spectra from first-principles calculations

Johan Nilsson, Per-Anders Carlsson, Henrik Grönbeck et al
Presented at the 10th International Congress on Catalysis and Automotive Pollution Control (CAPoC10), Brussels, Belgium, October 28-30, 2015.
Conference paper - non peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
2015

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

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

Size Effects in MgO Cube Dissolution

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

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

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

Selectivity and kinetics of methyl crotonate hydrogenation over Pt/Al2O3

Chaoquan Hu, Derek Creaser, Henrik Grönbeck et al
Catalysis Science & Technology. Vol. 5 (3), p. 1716-1730
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
2014

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

Guoqiang Li, Ligang Feng, Jinfa Chang et al
ChemSusChem. Vol. 7 (12), p. 3374-3381
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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)
Scientific journal article - peer reviewed
2014

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

Andrew G. Harris, C. M. Lukehart, Henrik Grönbeck et al
Carbon. Vol. 77, p. 880-885
Scientific journal article - peer reviewed
2014

Mechanism for Limiting Thickness of Thin Oxide Films on Aluminum

J. D. Baran, Henrik Grönbeck, Anders Hellman et al
Physical Review Letters. Vol. 112 (14)
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
2014

Metal-oxide sites for facile methane dissociation

Adriana Trinchero, Anders Hellman, Henrik Grönbeck et al
Physica Status Solidi-Rapid Research Letters. Vol. 8 (6), p. 605-609
Scientific journal article - peer reviewed
2014

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

Chaoquan Hu, Derek Creaser, Samira Siahrostami et al
Catalysis Science & Technology. Vol. 4 (8), p. 2427-2444
Scientific journal article - peer reviewed
2014

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

Jakub Baran, Henrik Grönbeck, Anders Hellman et al
Journal of the American Chemical Society. Vol. 136 (4), p. 1320-1326
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
2013

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

Andrew G. Harris, C. M. Lukehart, Henrik Grönbeck et al
Abstracts of Papers of the American Chemical Society. Vol. 246 (279-ENFL )
Conference paper - non peer reviewed
2013

Facile NOx interconversion over preoxidized Ag(111)

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

Water desorption from nanostructured graphite surfaces

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

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

Adriana Trinchero, Anders Hellman, Henrik Grönbeck et al
Surface Science. Vol. 616, p. 206-213
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
2013

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

Simon Klacar, Henrik Grönbeck,
Catalysis Science & Technology. Vol. 3 (1), p. 183-190
Scientific journal article - peer reviewed
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
Conference paper - peer reviewed
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.
Conference paper - peer reviewed
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.
Conference paper - peer reviewed
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.
Conference paper - peer reviewed
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.
Conference paper - peer reviewed
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
Conference paper - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Conference paper - non peer reviewed
2012

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

Henrik Grönbeck,
Nanoscale. Vol. 4 (14), p. 4178-4182
Scientific journal article - peer reviewed
2012

Mechanism for reversed photoemission core-level shifts of oxidized Ag

Henrik Grönbeck, Simon Klacar, N. M. Martin et al
Physical Review B. Vol. 85 (11)
Scientific journal article - peer reviewed
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
The Journal of Physical Chemistry C
Scientific journal article - peer reviewed
2012

The Active Phase of Palladium during Methane Oxidation

Anders Hellman, Andrea Resta, Natalia Martin et al
The Journal of Physical Chemistry Letters. Vol. 3 (6), p. 678-682
Scientific journal article - peer reviewed
2012

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

Lauro Oliver Paz Borbon, Anders Hellman, Henrik Grönbeck et al
Journal of Physical Chemistry C. Vol. 116 (5), p. 3545 - 3551
Scientific journal article - peer reviewed
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
Conference paper - peer reviewed
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
Conference paper - peer reviewed
2011

Low Temperature CO Oxidation over Supported Ultrathin MgO Films

Henrik Grönbeck, Anders Hellman, Simon Klacar et al
Proceedings of 22nd North American Catalysis Society Meeting, Detroit, USA, June 5-10, 2011
Conference paper - peer reviewed
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
Conference paper - peer reviewed
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

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
Scientific journal article - peer reviewed
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
2011

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

J. Knudsen, N. M. Martin, E. Granas et al
Physical Review B. Vol. 84 (11)
Scientific journal article - peer reviewed
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)
Scientific journal article - peer reviewed
2011

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

Henrik Grönbeck, Vladimir P. Zhdanov,
Physical Review B. Vol. 84 (5)
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
2011

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

R. Westerstrom, M. E. Messing, S. Blomberg et al
Physical Review B. Vol. 83 (11)
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Conference paper - peer reviewed
2010

The structure of self-assembled thiols on gold surfaces

Henrik Grönbeck,
27th European Conference on Surface Science, ECOSS27, Groningen, The Netherlands
Conference paper - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
2010

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

Henrik Grönbeck, M. Odelius,
Physical Review B. Vol. 82 (8)
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
2010

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

K. Honkala, Anders Hellman, Henrik Grönbeck et al
Journal of Physical Chemistry C. Vol. 114 (15), p. 7070-7075
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Conference paper - peer reviewed
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
Scientific journal article - peer reviewed
2009

Low temperature CO oxidation over supported ultrathin MgO films

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

First-principles studies of NOx chemistry on Agn/Al2O3

Anders Hellman, Henrik Grönbeck,
Journal of Physical Chemistry C. Vol. 113, p. 3674-3682
Scientific journal article - peer reviewed
2008

Microkinetic modelling with global thermodynamic consistency

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

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

Johan Lif, Magnus Skoglundh, Henrik Grönbeck et al
13th Nordic Symposium on Catalysis, Göteborg, Sweden, October 5-7, 2008
Conference paper - peer reviewed
2008

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

Hanna Härelind Ingelsten, Anders Hellman, Henrik Grönbeck et al
Presented at 5th International Conference on Environmental Catalysis (5ICEC), Belfast, Northern Ireland, August 31 – September 3, 2008
Conference paper - peer reviewed
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
Conference paper - peer reviewed
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
Conference paper - peer reviewed
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
Conference paper - peer reviewed
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. Vol. 78 (8), p. 7
Scientific journal article - peer reviewed
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, p. 268-276
Scientific journal article - peer reviewed
2008

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

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

Activation of Al2O3 by a Long-Ranged Chemical Bond Mechanism

Anders Hellman, Henrik Grönbeck,
Physical Review Letters. Vol. 100 (11), p. 116801
Scientific journal article - peer reviewed
2008

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

Henrik Grönbeck, Itai Panas,
Physical Review B. Vol. 77 (24), p. 245419
Scientific journal article - peer reviewed
2008

NO2 dissociation on Ag(111) revisited by theory

Anders Hellman, Itai Panas, Henrik Grönbeck et al
Journal of Chemical Physics. Vol. 128 (10), p. 104704
Scientific journal article - peer reviewed
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
Conference paper - peer reviewed
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
Conference paper - peer reviewed
2007

Theoretical characterization of NOx species on Ag/Al2O3

Anders Hellman, Hanna Härelind Ingelsten, Henrik Grönbeck et al
Presented at 2007 Annual Meeting of COST action D41, Inorganic Oxides: Surfaces and Interfaces, Berlin, Germany, October 21-23, 2007
Conference paper - peer reviewed
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
Conference paper - peer reviewed
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, p. 11-17
Scientific journal article - peer reviewed
2007

Polymerization at the alkylthiolate-Au(111) interface

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

Structural and electronic properties of a trimetallic nanoparticle catalyst: Ru5PtSn

Henrik Grönbeck, J.M. Thomas,
Chemical Physics Letters. Vol. 443, p. 337-341
Scientific journal article - peer reviewed
2007

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

Henrik Grönbeck, Anders Hellman, Andreas Gavrin et al
Journal of Physical Chemistry A. Vol. 111, p. 6062-6067
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
2006

Theoretical characterization of cyclic thiolated gold clusters

Henrik Grönbeck, Michael Walter, Hannu Häkkinen et al
Journal of the Americal Chemical Society. Vol. 128 (31), p. 10268-10275
Scientific journal article - peer reviewed
2006

Mechanism for NO2 charging on metal supported MgO

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

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

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

Fundamental aspects of NOx adsorption on BaO

Henrik Grönbeck, Peter Broqvist, Itai Panas et al
Surface Science. Vol. 600, p. 403-408
Scientific journal article - peer reviewed
2005

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

Peter Broqvist, Itai Panas, Henrik Grönbeck et al
JOURNAL OF PHYSICAL CHEMISTRY B 109 . Vol. B109, p. 15410-15416
Scientific journal article - peer reviewed
2005

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

Peter Broqvist, Itai Panas, Henrik Grönbeck et al
Journal of Physical Chemistry B. Vol. 109, p. 9613-9621
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
2004

CO bonded platinum: effects of semi-core polarization

Henrik Grönbeck,
Surface Science. Vol. 559 (2-3), p. 214-222
Scientific journal article - peer reviewed
2004

First principles studies of metal-oxide surfaces

Henrik Grönbeck,
Topics in catalysis. Vol. 28 (1-4), p. 59-69
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
2004

Surface properties of alkaline earth metal oxides

Peter Broqvist, Henrik Grönbeck, Itai Panas et al
Surface Science. Vol. 554 (2-3), p. 262-271
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
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
Scientific journal article - peer reviewed
2003

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

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