Anders Hellman

Docent at Chalmers, Physics, Chemical Physics

I am a theoretical physicist that works within the field of surface science, heterogeneous catalysis and materials for energy applications. Research interests include charge-transfer processes, hot-electron chemistry, surface reactions, phase transformations and time evolution of catalytic reactions.Anders Hellman received his PhD in theoretical physics in 2003 from University of Gothenburg, Sweden. He has done postdoctorial studies at Haldor Topsoe A/S, Denmark’s Technical University, and at Chalmers University of Technology, Sweden. He now works as an Associate professor at the department of Physics, and is also associated with the Competence Centre for Catalysis, Chalmers, Sweden. He is the leader of the Materials for energy application profile shared between the Energy Area of Advance (AoA) and Material AoA, Chalmers.He has worked on various topics related to surface science, heterogeneous catalysis and materials for energy harvesting, such as, charge transfer and non-adiabaticity in surface reaction, ammonia synthesis, CO and methane oxidation, thin oxides supported on metals, and photoelectrochemical studies of water oxidation. Hellman is the author and co-author of more then 50 papers in international journals, 4 book chapters, and has given many invited and keynote lectures at international conferences on the topics above.

Source: chalmers.se

Publications

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

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

Initial water adsorption on hematite (α -Fe<inf>2</inf>O<inf>3</inf>) (0001): A DFT + U study

Baochang Wang, Anders Hellman
Journal of Chemical Physics. Vol. 148 (9)
Journal article
2018

Dipole effect on ethylene epoxidation: Influence of alkali metals and chlorine

Matej Hus, Anders Hellman
Journal of Catalysis. Vol. 363, p. 18-25
Journal article
2017

CH4 and H2S reforming to CH3SH and H-2 catalyzed by metal-promoted Mo6S8 clusters: a first-principles micro-kinetic study

W. Taifan, Adam Arvidsson, E. Nelson et al
Catalysis Science and Technology. Vol. 7 (16), p. 3546-3554
Journal article
2017

Dream Reaction Come True? Direct Conversion of Methane to Methanol over Cu-zeolites

Xueting Wang, Adam Arvidsson, Magnus Skoglundh et al
Conference contribution
2017

Iron Oxide Films Prepared by Rapid Thermal Processing for Solar Energy Conversion

Björn Wickman, A. B. Fanta, A. Burrows et al
Scientific Reports. Vol. 7
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

First-Principles View on Photoelectrochemistry: Water-Splitting as Case Study

Anders Hellman, Baochang Wang
Inorganics. Vol. 5 (2), p. Article no 37 -
Journal article
2017

Methanol Desorption From Cu-ZSM-5 Studied by In Situ Infrared Spectroscopy and First-Principles Calculations

Xueting Wang, Adam Arvidsson, Magdalena O. Cichocka et al
Journal of Physical Chemistry C. Vol. 121 (49), p. 27389-27398
Journal article
2016

Using oxide nanostructures to improve photoelectrodes: A first-principles study

B. Wang, Anders Hellman
MRS fall meeting, Boston, USA, November, 2016
Paper in proceedings
2016

Core−Shell Nanoplasmonic Sensing for Characterization of Biocorona Formation and Nanoparticle Surface Interactions

Rickard Frost, Carl Wadell, Anders Hellman et al
ACS Sensors. Vol. 1 (6), p. 798-806
Journal article
2016

Structure-function relationship for alumina supported platinum during formation of ammonia from nitrogen oxide and hydrogen in presence of oxygen

Emma Adams, Lindsay R. Merte, Anders Hellman et al
Physical Chemistry Chemical Physics. Vol. 18 (16), p. 10850-10855
Journal article
2016

Geometry and Electronic Properties of Glycerol Adsorbed on Bare and Transition-Metal Surface-Alloyed Au(111): A Density Functional Theory Study

J. Baltrusaitis, Mikael Valter, Anders Hellman
Journal of Physical Chemistry C. Vol. 120 (3), p. 1749-1757
Journal article
2016

Direct Conversion of Methane to Methanol over ZSM-5 from First-principles

Adam Arvidsson, Per-Anders Carlsson, Anders Hellman
11th Natural Gas Conversion Symposium (NGCS 11), Tromsø, Norway, June, 2016
Paper in proceedings
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 proceedings
2016

Electrochemical dehydrogenation of methanol and glycerol on Au(111) with DFT

Mikael Valter, Jonas Baltrusaitis, Anders Hellman
17th Nordic Symposium on Catalysis, June 14-16, 2016 Lund, Sweden
Paper in proceedings
2016

Tailoring Charge Recombination in Photoelectrodes Using Oxide Nanostructures

Beniamino Iandolo, Björn Wickman, Elin Svensson et al
Nano Letters. Vol. 16 (4), p. 2381-2386
Journal article
2016

Tailoring charge recombination in photoelectrodes using oxide nanostructures

Anders Hellman
ACS, San Diego, USA, March, 2016
Paper in proceedings
2016

Characterization of Metal-Exchanged Zeolites for Direct Conversion of Methane to Methanol (DCMM)

Xueting Wang, Magnus Skoglundh, Anders Hellman et al
Presented at the 11th Natural Gas Conversion Symposium (NGCS 11), Tromsø, Norway, June 5-9, 2016
Conference contribution
2015

Unravelling the Dependence of Hydrogen Oxidation Kinetics on the Size of Pt Nanoparticles by in Operando Nanoplasmonic Temperature Sensing

Kristina Wettergren, Anders Hellman, F. Cavalca et al
Nano Letters. Vol. 15 (1), p. 574-580
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

Faceting of Rhodium(553) in Realistic Reaction Mixtures of Carbon Monoxide and Oxygen

Chu Zhang, Edvin Lundgren, Per-Anders Carlsson et al
Journal of Physical Chemistry C. Vol. 119 (21), p. 11646-11652
Journal article
2015

The rise of hematite: origin and strategies to reduce the high onset potential for the oxygen evolution reaction

Beniamino Iandolo, Björn Wickman, Igor Zoric et al
Journal of Materials Chemistry A. Vol. 3 (33), p. 16896-16912
Journal article
2015

Schottky barrier formation and band bending revealed by first- principles calculations

Yang Jiao, Anders Hellman, Yurui Fang et al
Scientific Reports. Vol. 5, p. Art. no. 11374-
Journal article
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

Correlating flat band and onset potentials for solar water splitting on model hematite photoanodes

Beniamino Iandolo, H. Zhang, Björn Wickman et al
RSC Advances. Vol. 5 (75), p. 61021-61030
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

Faradaic efficiency of O-2 evolution on metal nanoparticle sensitized hematite photoanodes

Beniamino Iandolo, Björn Wickman, B. Seger et al
Physical Chemistry Chemical Physics. Vol. 16 (3), p. 1271-1275
Journal article
2014

Hydrogen-Induced Reconstruction of Cu(100): Two-Dimensional and One-Dimensional Structures of Surface Hydride

Anders Hellman, Krister Svensson, Stig Andersson
Journal of Physical Chemistry C. Vol. 118 (29), p. 15773-15778
Journal 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

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
2014

The Role of Surface States in the Oxygen Evolution Reaction on Hematite

Beniamino Iandolo, Anders Hellman
Angewandte Chemie - International Edition. Vol. 53 (49), p. 13404-13408
Journal article
2014

Photoelectrochemical Hydrogen Production on alpha-Fe2O3 (0001): Insights from Theory and Experiments

J. Baltrusaitis, Y. S. Hu, E. W. McFarland et al
ChemSusChem. Vol. 7 (1), p. 162-171
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
2013

On the performance of Ag/Al2O3 as a HC-SCR catalyst – influence of silver loading, morphology and nature of the reductant

Hannes Kannisto, Kalle Arve, Torben Nilsson Pingel et al
Catalysis Science and Technology. Vol. 3 (3), p. 644-653
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

Structure-activity relationship for HC-SCR over Ag/Al2O3 with cyclic and aromatic reductants

Hannes Kannisto, Kalle Arve, Torben Nilsson Pingel et al
Presented at the 23st North American Catalysis Society Meeting (23th NAM), Louisville, Kentucky, USA, June 2-7, 2013.
Paper in proceedings
2013

Ammonia Synthesis: State of the Bellwether Reaction

Anders Hellman, K. Honkala, S. Dahl et al
Comprehensive Inorganic Chemistry II (Second Edition): From Elements to Applications, p. 459-474
Book chapter
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

On the mechanism for nanoplasmonic enhancement of photon to electron conversion in nanoparticle sensitized hematite films

Beniamino Iandolo, Tomasz Antosiewicz, Anders Hellman et al
Physical Chemistry Chemical Physics. Vol. 15 (14), p. 4947-4954
Journal article
2013

Hematite, a promising photoelectrochemical material

Anders Hellman
Energy Procedia. Mediterranean Green Energy Forum 2013: Proceedings of an International Conference Mgef-13. Vol. 42, p. 18-18
Paper in proceedings
2012

Methane activation on palladium(-oxide)

Anders Hellman
DPG, Dresden, Germany, 13th – 18th March, 2011
Paper in proceedings
2012

New chemistry on metal supported nanometer-thin oxides

Anders Hellman
Material for tomorrow, Chalmers, Sweden, 23rd-25th of October
Conference contribution
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
2012

The active site on PdO for methane dissociation

Anders Hellman
14th International conferences on theoretical aspects of catalysis, Vlissingen, The Netherlands, June 26-30, 2012
Paper in proceedings
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

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

HC-assisted NOx reduction on Agn/Al2O3: a density functional theory study

Anders Hellman
ECOSS 26, Parama, Italy, 30 August- 4 September 2009
Paper in proceedings
2012

First-principles insights of the active phase during catalytic reactions

Anders Hellman
15th Nordic symposium of catalysis, Mariehamn, Åland, 10th of June-12th of June
Paper in proceedings
2012

Low temperature CO oxidation on supported ultrathin MgO films

Anders Hellman
Psi-k 2010, Berlin, Germany, 13th-16th September, 2010
Paper in proceedings
2012

A detailed investigation of the active phase of palladium during methane oxidation

Anders Hellman
3S-symposium of surface science, St. Christoph, Austria, 11th March- 17th of March 2012
Paper in proceedings
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 proceedings
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

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

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 proceedings
2011

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

Hanna Härelind, 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 proceedings
2011

First-Principles Study of Photoinduced Water-Splitting on Fe2O3

Anders Hellman, R. G. S. Pala
Journal of Physical Chemistry C. Vol. 115 (26), p. 12901-12907
Journal article
2011

First-principles study of photoinduced water-splitting of Fe2O3

Anders Hellman
NAM22, Detroit, USA, 5th-10th June, 2011
Paper in proceedings
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

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

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

Hanna Härelind, Anders Hellman, Hannes Kannisto et al
Journal of Molecular Catalysis A: Chemical. Vol. 314 (1-2), p. 102-109
Journal article
2009

From Electronic Structure to Catalytic Activity: A Single Descriptor for Adsorption and Reactivity on Transition-Metal Carbides

Aleksandra Vojvodic, Anders Hellman, Carlo Ruberto et al
Physical Review Letters. Vol. 103 (14), p. 146103-
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

Electron Transfer and Nonadiabaticity

Bengt Lundqvist, Anders Hellman, Igor Zoric
Book chapter
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

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

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

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

Chapter 10 Electron Transfer and Nonadiabaticity

Bengt Lundqvist, Anders Hellman, Igor Zoric
Handbook of Surface Science. Vol. 3, p. 429-524
Journal article
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

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

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

Microkinetic modelling with global thermodynamic consistency

Jonas Sjöblom, Anders Hellman, Derek Creaser et al
the 13th Nordic Symposium on Catalysis
Conference poster
2007

Theoretical characterization of NOx species on Ag/Al2O3

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

Including lateral interactions into microkinetic models of catalytic reactions

Anders Hellman, K. Honkala
Journal of Chemical Physics. Vol. 127 (19), p. 6-
Journal article
2006

Non-adiabatic Effects in Initial Sticking

Anders Hellman, Igor Zoric, Bengt Lundqvist
Focus on Surface Science Research, p. 1-38
Book chapter
2005

Non-adiabatic Effects in Initial Sticking

Anders Hellman, Igor Zoric, Bengt Lundqvist
Book
2005

Dipole active rotations of physisorbed H2 and D

Krister Svensson, Johan Bellman, Anders Hellman et al
Physical Review B - Condensed Matter and Materials Physics. Vol. 71, p. 245402-
Journal article
2005

Trends in sticking and adsorption of diatomic molecules on the Al(111) surface

Anders Hellman, Behrooz Razaznejad, Bengt I. Lundqvist
Physical Review B - Condensed Matter and Materials Physics. Vol. 71 (20)
Journal article
2004

Potential-energy surfaces for excited states in extended systems

Anders Hellman, Behrooz Razaznejad, Bengt I. Lundqvist
Journal of Chemical Physics. Vol. 120 (10), p. 4593-4602
Journal article
2003

Initial sticking of O2 modeled by nonadiabatic charge transfer

Anders Hellman, Behrooz Razaznejad, Y. Yourdshahyan et al
Surf. Sci.. Vol. 532-535, p. 126-
Journal article

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Projects

2006–2009

Competence Centre for Catalysis

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

2010–2013

Competence Centre for Catalysis

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

2014–2017

Competence Centre for Catalysis

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

2009–2013

Catalysts for demanding environments

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

2016–2021

Atomistic Design of Catalyst

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

2016–2019

Vågfunktionsberäkningar relevanta för hetrogen katalys med hjälp av inbäddningspotentialer

Anders Hellman Chemical Physics
Swedish Research Council (VR)

2017–2019

Understanding catalyst ignition at the fundamental level

Per-Anders Carlsson Applied Surface Chemistry
Anders Hellman Chemical Physics

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)

2015–2017

Improved Water Quality made simple by Self-cleaning Membranes

Anders Hellman Chemical Physics
Formas

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