Steps and catalytic reactions: CO oxidation with preadsorbed O on Rh(553)
Journal article, 2021

Industrial catalysts are often comprised of nanoparticles supported on high- surface-area oxides, in order to maximise the catalytically active surface area and thereby utilise the active material better. These nanoparticles expose steps and corners that, due to low coordination to neighboring atoms, are more reactive and, as a consequence, are often assumed to have higher cat- alytic activity. We have investigated the reaction between CO and preadsorbed O on a stepped Rh(553) surface, and show that CO oxidation indeed occurs faster than on the flat Rh(111) surface at the same temperature. How- ever, we do find that this is not a result of reactions at the step sites but rather at the terrace sites close to the steps, due to in-plane relaxation enabled by the step. This insight can provide ways to optimize the shape of the nanoparticles to further improve the activity of certain reactions.


CO oxidation


Density functional theory



Chu Zhang

Baochang Wang

Chalmers, Physics, Chemical Physics

Anders Hellman

Chalmers, Physics, Chemical Physics

Mikhail Shipilin

Andreas Schaefer

Chalmers, Chemistry and Chemical Engineering, Applied Chemistry

Lindsay R. Merte

Sara Blomberg

Xueting Wang

Chalmers, Chemistry and Chemical Engineering, Applied Chemistry, Polymer Technology

Per-Anders Carlsson

Chalmers, Chemistry and Chemical Engineering, Applied Chemistry, Per-Anders Carlsson Group

Edvin Lundgren

Lund University

Jonas Weissenrieder

Royal Institute of Technology (KTH)

Andrea Resta

Anders Mikkelsen

Lund University

Jesper N. Andersen

Lund University

Johan Gustafson

Lund University

Surface Science

0039-6028 (ISSN)

Subject Categories

Inorganic Chemistry

Other Electrical Engineering, Electronic Engineering, Information Engineering

Condensed Matter Physics

Areas of Advance

Materials Science



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