For recent group news see x: @Rupprechter_Lab, opens an external URL in a new window

Research Directions

The Rupprechter group's strategy is to study catalytic surface reactions on heterogeneous catalysts via a four-fold approach, employing

1. Model Catalysis and Surface Science

2. Atomically-precise Cluster Catalysis

3. Applied Catalysis

4. Microkinetic Modeling and Simulation

For the first three, the focus is on examining active functioning catalysts under operando conditions by surface spectroscopy (PM-IRAS, FTIR, ATR, DRIFTS, SFG, NAP-XPS, XANES, EXAFS) and surface microscopy (PEEM, FEM, FIM, SPEM), preferentially at realistic temperature and (near) atmospheric pressure, with simultaneous GC or MS analysis of catalytic performance. In many cases the interpretation and verification of the obtained experimental spectra/images/patterns relies on theoretical support, e.g., by calculating structures, adsorption and activation energies for single crystal surfaces, nanoparticles and clusters, complemented by microkinetic reaction modeling.

This four-fold approach yields a more “holistic” view of the catalytically relevant atomic and electronic surface structure of catalysts, as well as of molecular details that steer reaction activity and, even more important, reaction selectivity. Comparing single crystals with nanoparticle or cluster model catalysts elucidates the materials gap, and comparing UHV to ambient pressure studies reveals the pressure gap. In particular, synergisms between studies on model and technological catalysts often provide access to atomistic details. Novel approaches to imaging surface reactions (kinetics by imaging) on model catalysts (surface structure and particle size libraries) by PEEM/FEM/FIM/SPEM have turned out particularly powerful. Most studies are performed in lock-step with intense theory collaborations.

Group Photos  -  Key Publications  -  Book Chapters  - Guest Editor  -  Cover Gallery  -  Awards and Honors  -   Selected Invited Talks   -   News Page

Cluster of Excellence MECS
https://coe-mecs.at/WP/, opens an external URL in a new window

SFB TACO
http://sfb-taco.at/consortium/p08/, opens an external URL in a new window

SFB FOXSI
foxsi.tuwien.ac.at, opens an external URL in a new window

Key Publications

A milder reaction to feed the world: Surface science defies the complexity of ammonia synthesis
G. Rupprechter
Perspective: Science, 383 (2024) 1295
https://doi.org/10.1126/science.ado4095, opens an external URL in a new window
free-access, reprint link: https://www.science.org/stoken/author-tokens/ST-1768/full, opens an external URL in a new window

Supported liquid metal catalysts: Popping up to the surface
G. Rupprechter
News and Views: Nature Chemistry, 9 (2017) 833-834
https://doi.org/10.1038/nchem.2849, opens an external URL in a new window

Operando surface spectroscopy and microscopy during catalytic reactions: from clusters via nanoparticles to meso-scale aggregates
G. Rupprechter
Small (2021) 2004289 (26 pages)
https://doi.org/10.1002/smll.202004289, opens an external URL in a new window    

Imaging interface and particle size effects by in situ correlative microscopy of a catalytic reaction
P. Winkler, M. Raab, J. Zeininger, L.M. Rois, Y. Suchorski, M. Stöger-Pollach, M. Amati, R. Parmar, L. Gregoratti, G. Rupprechter
ACS Catalysis, 13 (2023) 7650−7660
https://pubs.acs.org/doi/10.1021/acscatal.3c00060, opens an external URL in a new window
TUW Press Release: https://www.tuwien.at/en/tu-wien/news/news-articles/news/komplizierter-als-gedacht-katalyse-unter-dem-mikroskop, opens an external URL in a new window

Emergence of chaos in a compartmentalized catalytic reaction nanosystem
M. Raab, J. Zeininger, Y. Suchorski, K. Tokuda, G. Rupprechter
Nature Communications, 14 (2023) 282
https://doi.org/10.1038/s41467-023-36434-y, opens an external URL in a new window 
TUW Press Release: https://www.tuwien.at/en/tu-wien/news/news-articles/news/chaos-auf-nanometer-skala, opens an external URL in a new window

Coexisting multi-states in catalytic hydrogen oxidation on rhodium
P. Winkler, J. Zeininger, M. Raab, Y. Suchorski, A. Steiger-Thirsfeld, M. Stöger-Pollach, M. Amati, L. Gregoratti, H. Grönbeck, G. Rupprechter
Nature Communications, 12 (2021)6517 (8 pages)
https://doi.org/10.1038/s41467-021-26855-y, opens an external URL in a new window

The origin of the particle-size-dependent selectivity in 1-butene isomerization and hydrogenation on Pd/Al₂O₃ catalysts
A. Genest, J. Silvestre-Albero, W.-Q. Li, N. Rösch, G. Rupprechter
Nature Communications, 12 (2021) 6098 (8 pages)
https://doi.org/10.1038/s41467-021-26411-8, opens an external URL in a new window

Single particle catalysis: revealing intraparticle pacemakers in catalytic H2 oxidation on Rh
J. Zeininger, Y. Suchorski, M. Raab, S. Buhr, H. Grönbeck, G. Rupprechter
ACS Catalysis, 11 (2021) 10020–10027
https://doi.org/10.1021/acscatal.1c02384, opens an external URL in a new window   

Resolving multifrequential oscillations and nanoscale interfacet communication in single particle catalysis
Y. Suchorski, J. Zeininger, S. Buhr, M. Raab, M. Stöger-Pollach, J. Bernardi, H. Grönbeck, G. Rupprechter
Science, 372 (2021) 1314-1318, DOI: https://doi.org/10.1126/science.abf8107, opens an external URL in a new window
featured in : Imaging reactions across facets, by Phil Szuromi, Science 372 (2021)1300, DOI: https://doi.org/10.1126/science.372.6548.1300-c, opens an external URL in a new window
featured in Nano Today, 39 (2021) 101230 (C. Sealy, Catalytic nanofacets sing together with their own tone, ISSN 1748-0132, DOI: https://doi.org/10.1016/j.nantod.2021.101230, opens an external URL in a new window

How the anisotropy of surface oxide formation influences the transient activity of a surface reaction
P. Winkler, J. Zeininger, Y. Suchorski, M. Stöger-Pollach, P. Zeller, M. Amati, L. Gregoratti, G. Rupprechter
Nature Communications, 12 (2021) 69 (8 pages)
https://doi.org/10.1038/s41467-020-20377-9, opens an external URL in a new window    (Gold OA)
featured on Nature Communications Editors’ Highlights  webpage : https://www.nature.com/ncomms/editorshighlights, opens an external URL in a new window
TU Press Release: https://www.tuwien.at/tu-wien/aktuelles/news/news/katalysatoren-ein-genauerer-blick-lohnt-sich, opens an external URL in a new window
Elettra Top Story: https://www.elettra.trieste.it/science/top-stories/how-the-anisotropy-of-surface-oxide-formation-influences-the-transient-activity-of-a-surface-reaction.html, opens an external URL in a new window

Interplay between CO disproportionation and oxidation: on the origin of the CO reaction onset on Atomic Layer Deposition-grown Pt/ZrO₂ model catalysts
V. Pramhaas, M. Roiaz, N. Bosio, C. Rameshan, M. Corva, E. Vesselli, H. Grönbeck, G. Rupprechter
ACS Catalysis, 11 (2021) 208–214
https://dx.doi.org/10.1021/acscatal.0c03974, opens an external URL in a new window  

The dynamic structure of Au₃₈(SR)₂₄ nanoclusters supported on CeO₂ upon pretreatment and CO oxidation
S. Pollitt, V. Truttmann, T. Haunold, C. Garcia, W. Olszewski, J. Llorca, N. Barrabés, G. Rupprechter
ACS Catalysis, 10 (2020) 6144−6148
https://dx.doi.org/10.1021/acscatal.0c01621, opens an external URL in a new window

Catalysis by imaging: from meso- to nano-scale
Y. Suchorski, G. Rupprechter
Topics in Catalysis, 63 (2020) 1532-1544
https://doi.org/10.1007/s11244-020-01302-2 , opens an external URL in a new window

The role of metal/oxide interfaces for long-range metal particle activation during CO oxidation 
Y. Suchorski, S.M. Kozlov, I. Bespalov, M. Datler, D. Vogel, Z. Budinska, K.M. Neyman, G. Rupprechter
Nature Materials 17 (2018) 519-522
DOI:10.1038/s41563-018-0080-y, opens an external URL in a new window

Visualizing catalyst heterogeneity by a multifrequential oscillating reaction
Y. Suchorski, M. Datler, I. Bespalov, J. Zeininger, M. Stöger-Pollach, J. Bernardi, H. Grönbeck, G. Rupprechter
Nature Communications 9 (2018) 1-6
DOI: 10.1038/s41467-018-03007-3 (Gold OA)

Vibrational fingerprint of localized excitons in a two-dimensional metal-organic crystal
M. Corva, A. Ferrari, M. Rinaldi, Z. Feng, M. Roiaz, C. Rameshan, G. Rupprechter, R. Constantini, M. Dell´Angela, G. Pastore, G. Comelli, N. Seriani, E. Vesselli
Nature Communications 9 (2018) 4703
DOI: 10.1038/s41467-018-07190-1, opens an external URL in a new window (OA)

Operando insights into CO oxidation on cobalt oxide catalysts by NAP-XPS, FTIR and XRD
L. Lukashuk, N. Yigit, R. Rameshan, E. Kolar, D. Teschner, M. Hävecker, A. Knop-Gericke, R. Schlögl, K. Föttinger, G. Rupprechter
ACS Catalysis 8 (2018) 8630−8641
DOI:10.1021/acscatal.8b01237, opens an external URL in a new window (Hybrid OA)

Catalytic transformations of 1-Butene over palladium. A combined experimental and theoretical study
V. Markova, J. Philbin, W. Zhao, A. Genest, J. Silvestre-Albero, G. Rupprechter, N. Rösch
ACS Catalysis 8 (2018) 5675-5685
DOI: 10.1021/acscatal.8b01013, opens an external URL in a new window

Local reaction kinetics by imaging
Y. Suchorski, G. Rupprechter
Surface Science 643 (2016) 52-58
DOI: 10.1016/j.susc.2015.05.021, opens an external URL in a new window (Hybrid OA)

Enhancing electrochemical water-splitting kinetics by polarization-driven formation of near-surface Iron(0): An in-situ XPS study on perovskite-type electrodes
A.K. Opitz, A. Nenning, C. Rameshan, R. Rameshan, R. Blume, M. Hävecker, A. Knop-Gericke, G. Rupprechter, J. Fleig, B. Klötzer
Angewandte Chemie International Edition 54 (2015) 2628-2632
DOI: 10.1002/anie.201409527, opens an external URL in a new window (Hybrid OA)

In situ spectroscopy of complex surface reactions on supported Pd-Zn, Pd-Ga and Pd(Pt)-Cu nanoparticles
K. Föttinger, G. Rupprechter
Accounts of Chemical Research 47 (2014) 3071-3079
DOI: 10.1021/ar500220v, opens an external URL in a new window

Who is doing the job? Unraveling the role of Ga₂O₃ in methanol steam reforming on Pd₂Ga/Ga₂O₃
A. Haghofer, D. Ferri, K. Föttinger, G. Rupprechter
ACS Catalysis 2 (2012) 2305-2315
DOI: 10.1021/cs300480c, opens an external URL in a new window

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, A. Trinchero, R. Schlögl, H. Grönbeck, G. Rupprechter
Angewandte Chemie International Edition 51 (2012) 10041-10044
DOI: 10.1002/anie.201204031, opens an external URL in a new window (Hybrid OA)

Subsurface-controlled CO₂-selectivity of PdZn near-surface alloys in H₂ generation by methanol steam reforming
C. Rameshan, W. Stadlmayr, C. Weilach, S. Penner, H. Lorenz, M. Hävecker, R. Blume, T. Rocha, D. Teschner, A. Knop-Gericke, R. Schlögl, N. Memmel, D. Zemlyanov, G. Rupprechter, B. Klötzer
Angewandte Chemie International Edition 49 (2010) 3224-3227
DOI: 10.1002/anie.200905815, opens an external URL in a new window

Vibrational studies of surface-gas interactions at ambient pressure
G. Rupprechter, C. Weilach
J. Phys.: Condens. Matter 20 (2008) 184020

G. Rupprechter
Sum frequency laser spectroscopy during chemical reactions on surfaces
MRS (Materials Research Society) Bulletin, 32 (2007) 1031-1037.

G. Rupprechter, C. Weilach
Mind the gap! Spectroscopy of catalytically active phases
Nano Today, 2 (2007) 20-29

G. Rupprechter
A Surface Science Approach to Ambient Pressure Catalytic Reactions
Catalysis Today, 126 (2007) 3-17

H.-J. Freund, M. Bäumer, J. Libuda, T. Risse, G. Rupprechter, S. Shaikhutdinov
Preparation and characterization of model catalysts: From ultrahigh vacuum to in-situ conditions at the atomic dimension
Journal of Catalysis, 40th Anniversary Commemorative Issue, 216 (2003) 223

G.A. Somorjai, G. Rupprechter
Molecular studies of catalytic reactions on crystal surfaces at high pressures and high temperatures by infrared-visible sum frequency generation (SFG) surface vibrational spectroscopy
Journal of Physical Chemistry B, 103 (1999) 1623 (Feature Article)

G.A. Somorjai, G. Rupprechter
The flexible surface: Molecular studies explain the extraordinary diversity of surface chemical properties
(Foreword by Nobel Laureate Glenn T. Seaborg)
Journal of Chemical Education, 75th Anniversary Issue,75 (1998) 1

Book Chapters

Application of XPS in studies of model catalysts: from single crystals to supported nanoparticles
G. Rupprechter
Applications of X-Ray Photoelectron Spectroscopy To Catalytic Studies (S. Zafeiratos; Editor), World Scientific, 2023
https://doi.org/10.1142/9781800613294_0007, opens an external URL in a new window

Sum Frequency Generation (SFG) Spectroscopy
V. Pramhaas, G. Rupprechter
Springer Handbook of Advanced Catalyst Characterization, Springer Handbooks, M. A. Bañares, I. Wachs (eds.), 2023, eBook ISBN 978-3-031-07125-6, Print ISBN 978-3-031-07124-9
https://doi.org/10.1007/978-3-031-07125-6_10, opens an external URL in a new window

Sum Frequency Generation in Ambient Environments: Vibrational Spectroscopy at Solid/Gas and Solid/Liquid Interfaces
V. Pramhaas, G. RupprechterACS eBook on Ambient Pressure Spectroscopy in Complex Chemical Environments, ACS Symposium Series vol.1396 (2021), edited by A.R. Head, S. Nemšák, & B. Eren
ISBN13: 9780841298125 eISBN: 9780841298118
Chapter 6, 119-145
DOI: 10.1021/bk-2021-1396.ch006

Sum frequency generation and second harmonics generation spectroscopy
G. Rupprechter
Encyclopedia of Interfacial Chemistry - Surface Science and Electrochemistry,
K. Wandelt (Editor) Elsevier Oxford 2018 ISBN: 9780128097397, 509-520
DOI:10.1016/B978-0-12-409547-2.12825-2

Surface science approach to heterogeneous catalysis
G. Rupprechter
Textbook on Surface and Interface Science, K. Wandelt (Editor)
Wiley-VCH Weinheim 2016
ISBN: 978-3-527-41158-0, 459-52
DOI: 10.1002/9783527680573.ch39

Sum frequency generation and infrared reflection absorption spectroscopy
K. Föttinger, C. Weilach, G. Rupprechter
Characterization of Solid Materials and Heterogeneous Catalysts: From Structure to Surface Reactivity, M. Che, J. Védrine, (Editors) Wiley-VCH Weinheim 2012
ISBN 978-3-527-32687-7, 211-253
DOI: 10.1002/9783527645329.ch6

Sum frequency generation (SFG) spectroscopy
G. Rupprechter, A. Bandara
Surface and Thin Film Analysis, G. Friedbacher, H. Bubert (Editors)
Wiley-VCH Weinheim 2011 ISBN-10: 3-527-32047-4,
ISBN-13: 978-3-527-32047-9 (invited) 407-435

Sum frequency generation vibrational laser spectroscopy
G. Rupprechter
Encyclopedia of Materials: Science and Technology, J Buschow, R. Cahn, M. Flemings, B. Ilschner, E. Kramer, S. Mahajan, P. Veyssiere (Editors) Elsevier Science Ltd.
Oxford 2010 ISBN: 978-0-08-043152-9 (invited) 1-7

Catalysis of thin oxide films and oxide nanoparticles
G. Rupprechter, S. Penner
Model Systems in Catalysis - Single Crystals to Supported Enzyme Mimics,
Robert M. Rioux (Editor) Springer 2010 ISBN: 978-0-387-98041-6 (invited) 367-394

Catalysis of noble metal nanoparticles supported on thin oxide films
G. Rupprechter
Model Systems in Catalysis - Single Crystals to Supported Enzyme Mimics,
Robert M. Rioux (Editor) Springer 2010 ISBN: 978-0-387-98041-6 (invited) 319-344

Sum frequency generation and polarization-modulation infrared reflection absorption spectroscopy of functioning model catalysts from ultrahigh vacuum to ambient pressure
G. Rupprechter
Advances in Catalysis, H. Knözinger, B. Gates (Editors) Elsevier Inc. 2007
ISSN: 0360-0564 (invited) 133-263

Adsorbate properties of linear hydrocarbons
G. Rupprechter, G.A. Somorjai
Landolt-Börnstein Physics of Covered Solid Surfaces, I. Adsorbed Layers on Surfaces, H.P. Bonzel (Editor) Springer Berlin 2006 (invited) 243-330

Surface vibrational spectroscopy on noble metal catalysts from ultrahigh vacuum to atmospheric pressure
G. Rupprechter
Annual Reports on the Progress of Chemistry, Section C (Physical Chemistry), G. Webb (Editor) Royal Society of Chemistry 2004 (invited) 237-311

Guest Editor of

Special Issue on "From Coadsorption and Catalysis at Solid Surfaces to Liquid- Solid Interfaces in Theory and Experiment (Irsee IX Symposium)"
(jointly with Z. Dohnalek and T. Volpe)
Preface: https://doi.org/10.1007/s11244-023-01858-9, opens an external URL in a new window
Topics in Catalysis (Nov. 2023)

Special Issue on "Engineering Materials for Catalysis"
(jointly with A. Pintar and N. Novak Tušar)
Preface: https://www.mdpi.com/journal/catalysts/special_issues/EFCATS_2020, opens an external URL in a new window
Catalysts ISSN 2073-4344 (2021)
https://www.mdpi.com/journal/catalysts/special_issues/EFCATS_2020, opens an external URL in a new window

Surface Sciene Special Issue on “Functional Oxides”
(jointly with U. Diebold)
Preface : Surface Science Science 681 (2019) A1
DOI: 10.1016/j.susc.2018.11.017
https://www.sciencedirect.com/journal/surface-science/special-issue/10NBG6M0BCF, opens an external URL in a new window

Konrad Hayek Festschrift: Catalysis on well-defined surfaces: From single crystals to regular nanoparticles
Topics in Catalysis 46 (2007) 1-245

All publications: Publikationsdatenbank, opens an external URL in a new window

Selected Invited Oral Presentations (Lectureships, Keynotes, Plenaries)

(in total 140+ invited, 17 keynote, 2 plenary)

Lectureships

08/2019           Pertamina Research and Technology Lecture (R&D Center ), Jakarta (ID)

01/2019           Pregl Colloquium Lecture Series, National Institute of Chemistry, Ljubljana (SI)

06/2018           Catalysis Forum, Dalian Institute of Chemical Physics, Dalian (CN)

05/2016           Joseph Black Lecture, Glasgow and West of Scotland Royal Society of Chemistry,
                      University of Glasgow, Glasgow (GB)

03/2005           Jochen Block Lecture of the German Catalysis Society, Weimar (DE)

Keynotes

12/2020           3rd International Conference on Novel Functional Materials (ICNFM2020), Xiamen (CN)

10/2019           11^th International Conference on Mechanisms of Catalytic Reactions, Sochi (RU)

06/2019           Gordon Research Conference on Laser Diagnostics in Energy and Combustion Science, Les Diablerets (CH)

04/2018           6^th International Congress on Operando Spectroscopy, Malaga (ES)

08/2017           33^rd European Conference on Surface Science ECOSS, Szeged (HU)

06/2017           International Conference on Applied Surface Science 2017, Dalian (CN)

06/2016           16^th International Congress on Catalysis, Beijing (CN)

08/2015           12^th European Conference on Catalysis, Kazan (RU)

09/2014           12. Pannonian International Symposium on Catalysis, Trest (CZ)

10/2012           9th International Conference on Mechanisms of Catalytic Reactions, St. Petersburg (RU)

09/2009           Austrian/Swiss Physical Society Meeting, Innsbruck (AT)

07/2006           8^th Pannonian International Symposium on Catalysis, Szeged (HU)

Plenaries

09/2021            53^rd Polish Annual Conference on Catalysis (LIII OKK), Krakow (PL)

09/2008            10^th European Vacuum Conference (EVC-10), Lake Balaton (HU)

04/2006            2^nd International Congress on Operando Spectroscopy, Toledo (ES)