Structure and Reactivity

Structure and Reactivity

We study surface chemistry of oxide-supported metal and transition metal oxide nanoparticles focusing on the effect of the particle size, shape and the nature of oxide support on reactivity, particularly in CO2 hydrogenation reactions.

Mono- and multi-component particles, prepared for example by colloidal chemistry methods, are deposited onto planar oxide supports by dip coating, followed by oxygen plasma ligand removal and calcination-reduction treatments. In addition, metallic particles can be prepared by physical vapor deposition in vacuum.

In several UHV setups, we use a variety of surface science techniques such as scanning probe microscopy (SPM), Auger electron spectroscopy (AES), ultraviolet photoelectron spectroscopy (UPS), low energy ion scattering (LEIS), temperature programmed desorption (TPD), infrared reflection absorption spectroscopy (IRAS) (also in polarization-modulation mode, PM-IRAS), and X-ray photoelectron spectroscopy (XPS) in UHV as well as at near atmospheric pressures (NAP-XPS). In addition, the elementary steps of reactions are addressed by molecular beam (MB) studies in combination with IRAS. The catalytic activity of model planar catalysts under both, UHV-compatible and realistic conditions can be monitored by a gas chromatography and mass-spectrometry. The results on model catalysts are compared to the “real” systems prepared on high surface area supports to rationalize the structure-reactivity relationships.

Group Members

Name
Room
Phone
Dr. Shamil Shaikhutdinov
P 2.04
  • 4114
Dr. Young Jae Kim
P 2.01
  • 4237
Van Canh Nguyen
P 1.08
  • 4235
Dr. Jingyi Yang
P 0.02
  • 4142

Recent Publications

2025
V.C. Nguyen, E. Ortega, D. Cruz, J. Zhu, W. Frandsen, S.K. Shaikhutdinov and B. Roldan Cuenya: Structure and Reactivity of Cu2O Nanocubes in Ethanol Dehydrogenation. ACS Catalysis 15 (21), 18333–18347 (2025).
J. Yang, E. Ortega, J.B. Jang, A. Martini, J. Zhu, J. Timoshenko, J.D. Bellis, F. Schüth, S.K. Shaikhutdinov and B. Roldan Cuenya: Plasma Pretreatment of Pt Single-Atom Precursors Supported on Mechanically Activated Al2O3: Enhanced Performance in Propane Dehydrogenation. Journal of the American Chemical Society 147 (44), 40481–40495 (2025).
J. Mathiesen, J. Zhu, W. Wan, S.K. Shaikhutdinov and B. Roldan Cuenya: Metal-Support Interaction in In2O3-Based Catalysts of CO2 Hydrogenation Studied Using “Inverse” In2O3(111)/Ru(0001) Model Systems. The Journal of Physical Chemistry C 129 (18), 8582–8590 (2025).
J. Zhu, S.K. Shaikhutdinov and B. Roldan Cuenya: Structure-reactivity relationships in CO2 hydrogenation to C2+ chemicals on Fe-based catalysts. Chemical Science 16 (3), 1071–1092 (2025).
2023
J. Barreto, N. Nilius, H. Tissot, S.K. Shaikhutdinov, H.-J. Freund and F. Stavale: Interaction of water and carbon monoxide with MnO(001) thin films on Au(111). Physical Chemistry Chemical Physics 25 (43), 29808–29815 (2023).
S.W. Lee, A. Subramanian, F.B. Zamudio, J.Q. Zhong, S.M. Kozlov, S.K. Shaikhutdinov and B. Roldan Cuenya: Interaction of Gallium with a Copper Surface: Surface Alloying and Formation of Ordered Structures. The Journal of Physical Chemistry C 127 (42), 20700–20709 (2023).
S.W. Lee, M. Lopez-Luna, N. Berdunov, W. Wan, S. Kunze, S.K. Shaikhutdinov and B. Roldan Cuenya: Unraveling surface structures of gallium promoted transition metal catalysts in CO2 hydrogenation. Nature Communications 14, 4649 (2023).
2022
M. Prieto, T. Mullan, W. Wan, L.C. Tanase, L.de S. Caldas, S.K. Shaikhutdinov, J. Sauer, D. Usvyat, T. Schmidt and B. Roldan Cuenya: Plasma Functionalization of Silica Bilayer Polymorphs. ACS Applied Materials and Interfaces 14 (43), 48609–48618 (2022).
W. Wan, J. Geiger, N. Berdunov, M. Lopez-Luna, S.W. Chee, N. Daelman, N. López, S.K. Shaikhutdinov and B. Roldan Cuenya: Highly Stable and Reactive Platinum Single Atoms on Oxygen Plasma-Functionalized CeO2 Surfaces: Nanostructuring and Peroxo Effects. Angewandte Chemie International Edition 61 (20), e202112640 (2022).
2021
M. Lopez-Luna, J. Timoshenko, D. Kordus, C. Rettenmaier, S.W. Chee, A.S. Hoffman, S.R. Bare, S.K. Shaikhutdinov and B. Roldan Cuenya: Role of the Oxide Support on the Structural and Chemical Evolution of Fe Catalysts during the Hydrogenation of CO2. ACS Catalysis 11 (10), 6175–6185 (2021).
J.Q. Zhong, S.K. Shaikhutdinov and B. Roldan Cuenya: Structural Evolution of Ga-Cu Model Catalysts for CO2 Hydrogenation Reactions. The Journal of Physical Chemistry C 125 (2), 1361–1367 (2021).

Former Group Members and Group Photos

Name
Dr. David Kordus
PhD Student, Postdoctoral Researcher
Dr. Jie Zhu
Postdoctoral Researcher
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